CID 3084211

Hexadecyltriphenylphosphonium bromide

Structural Information

Molecular Formula
C34H48P
SMILES
CCCCCCCCCCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C34H48P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-31-35(32-25-18-15-19-26-32,33-27-20-16-21-28-33)34-29-22-17-23-30-34/h15-23,25-30H,2-14,24,31H2,1H3/q+1
InChIKey
HHMIEZDGBVGWJB-UHFFFAOYSA-N
Compound name
hexadecyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

285
Patents

487.34937 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.35665 242.8
[M+Na]+ 510.33859 241.0
[M-H]- 486.34209 247.4
[M+NH4]+ 505.38319 249.0
[M+K]+ 526.31253 226.7
[M+H-H2O]+ 470.34663 230.6
[M+HCOO]- 532.34757 263.7
[M+CH3COO]- 546.36322 238.2
[M+Na-2H]- 508.32404 240.0
[M]+ 487.34882 244.5
[M]- 487.34992 244.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe