CID 161237

(4-carboxybutyl)triphenylphosphonium bromide

Structural Information

Molecular Formula
C23H24O2P
SMILES
C1=CC=C(C=C1)[P+](CCCCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H23O2P/c24-23(25)18-10-11-19-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17H,10-11,18-19H2/p+1
InChIKey
CPVNCBJFUQQXSU-UHFFFAOYSA-O
Compound name
4-carboxybutyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

3661
Patents

363.1514 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15868 196.5
[M+Na]+ 386.14062 199.0
[M-H]- 362.14412 202.4
[M+NH4]+ 381.18522 207.0
[M+K]+ 402.11456 187.7
[M+H-H2O]+ 346.14866 187.2
[M+HCOO]- 408.14960 219.7
[M+CH3COO]- 422.16525 206.9
[M+Na-2H]- 384.12607 198.9
[M]+ 363.15085 194.4
[M]- 363.15195 194.4
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