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1779-51-7

1779-51-7 | Phosphonium, butyltriphenyl-, bromide (1:1)

CAS No: 1779-51-7 Catalog No: AG0025LV MDL No:MFCD00011855

Product Description

Catalog Number:
AG0025LV
Chemical Name:
Phosphonium, butyltriphenyl-, bromide (1:1)
CAS Number:
1779-51-7
Molecular Formula:
C22H24BrP
Molecular Weight:
399.3037
MDL Number:
MFCD00011855
IUPAC Name:
butyl(triphenyl)phosphanium;bromide
InChI:
InChI=1S/C22H24P.BrH/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;1H/q+1;/p-1
InChI Key:
IKWKJIWDLVYZIY-UHFFFAOYSA-M
SMILES:
CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
NSC Number:
59684

Properties

Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.08g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.312g/mol
Monoisotopic Mass:
398.08g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Literature

Title Journal
Tandem mass spectrometric characterization of thiol peptides modified by the chemoselective cationic sulfhydryl reagent (4-iodobutyl)triphenylphosphonium--effects of a cationic thiol derivatization on peptide fragmentation. Journal of the American Society for Mass Spectrometry 20111001

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