CID 2755300

(4-benzoyloxy)butyl)triphenylphosphonium bromide

Structural Information

Molecular Formula
C29H28O2P
SMILES
C1=CC=C(C=C1)C(=O)OCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C29H28O2P/c30-29(25-15-5-1-6-16-25)31-23-13-14-24-32(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22H,13-14,23-24H2/q+1
InChIKey
YXSQWUFZEZNIKA-UHFFFAOYSA-N
Compound name
4-benzoyloxybutyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.18268 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.18996 219.5
[M+Na]+ 462.17190 220.4
[M-H]- 438.17540 228.7
[M+NH4]+ 457.21650 226.5
[M+K]+ 478.14584 208.5
[M+H-H2O]+ 422.17994 207.3
[M+HCOO]- 484.18088 242.5
[M+CH3COO]- 498.19653 222.6
[M+Na-2H]- 460.15735 220.7
[M]+ 439.18213 217.5
[M]- 439.18323 217.5
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

No patent data available for this compound.