CID 159629

Butyltriphenylphosphonium bromide

Structural Information

Molecular Formula
C22H24P
SMILES
CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H24P/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/q+1
InChIKey
BEVHTMLFDWFAQF-UHFFFAOYSA-N
Compound name
butyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

8923
Patents

319.16156 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.16884 186.4
[M+Na]+ 342.15078 190.2
[M-H]- 318.15428 193.8
[M+NH4]+ 337.19538 199.8
[M+K]+ 358.12472 178.7
[M+H-H2O]+ 302.15882 177.2
[M+HCOO]- 364.15976 211.9
[M+CH3COO]- 378.17541 203.1
[M+Na-2H]- 340.13623 190.5
[M]+ 319.16101 184.5
[M]- 319.16211 184.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe