CID 2724862

Cyclohexyltriphenylphosphonium bromide

Structural Information

Molecular Formula
C24H26P
SMILES
C1CCC(CC1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H26P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-3,5-10,13-18,24H,4,11-12,19-20H2/q+1
InChIKey
OCLGTFUCCBRKIM-UHFFFAOYSA-N
Compound name
cyclohexyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

279
Patents

345.17722 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.18450 191.4
[M+Na]+ 368.16644 192.2
[M-H]- 344.16994 200.5
[M+NH4]+ 363.21104 202.6
[M+K]+ 384.14038 180.4
[M+H-H2O]+ 328.17448 180.8
[M+HCOO]- 390.17542 212.9
[M+CH3COO]- 404.19107 206.2
[M+Na-2H]- 366.15189 193.5
[M]+ 345.17667 182.9
[M]- 345.17777 182.9
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