CID 3084856

Octyltriphenylphosphonium bromide

Structural Information

Molecular Formula
C26H32P
SMILES
CCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C26H32P/c1-2-3-4-5-6-16-23-27(24-17-10-7-11-18-24,25-19-12-8-13-20-25)26-21-14-9-15-22-26/h7-15,17-22H,2-6,16,23H2,1H3/q+1
InChIKey
GBJFFNJJPBMORJ-UHFFFAOYSA-N
Compound name
octyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

562
Patents

375.22415 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.23143 205.5
[M+Na]+ 398.21337 207.5
[M-H]- 374.21687 212.0
[M+NH4]+ 393.25797 216.5
[M+K]+ 414.18731 195.1
[M+H-H2O]+ 358.22141 195.4
[M+HCOO]- 420.22235 229.5
[M+CH3COO]- 434.23800 214.9
[M+Na-2H]- 396.19882 207.3
[M]+ 375.22360 204.9
[M]- 375.22470 204.9
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