CID 2724566

Pentyltriphenylphosphonium bromide

Structural Information

Molecular Formula
C23H26P
SMILES
CCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H26P/c1-2-3-13-20-24(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23/h4-12,14-19H,2-3,13,20H2,1H3/q+1
InChIKey
OYHFEIYRVJBRMG-UHFFFAOYSA-N
Compound name
pentyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1016
Patents

333.17722 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.18450 191.2
[M+Na]+ 356.16644 194.5
[M-H]- 332.16994 198.4
[M+NH4]+ 351.21104 204.0
[M+K]+ 372.14038 182.8
[M+H-H2O]+ 316.17448 181.8
[M+HCOO]- 378.17542 216.3
[M+CH3COO]- 392.19107 206.1
[M+Na-2H]- 354.15189 194.7
[M]+ 333.17667 189.6
[M]- 333.17777 189.6
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