CID 2779281

(5-carboxypentyl)triphenylphosphanium bromide

Structural Information

Molecular Formula
C24H26O2P
SMILES
C1=CC=C(C=C1)[P+](CCCCCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H25O2P/c25-24(26)19-11-4-12-20-27(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-3,5-10,13-18H,4,11-12,19-20H2/p+1
InChIKey
LDPLIHVYUJTDKY-UHFFFAOYSA-O
Compound name
5-carboxypentyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

504
Patents

377.16705 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.17433 201.3
[M+Na]+ 400.15627 203.3
[M-H]- 376.15977 207.0
[M+NH4]+ 395.20087 211.1
[M+K]+ 416.13021 191.7
[M+H-H2O]+ 360.16431 191.7
[M+HCOO]- 422.16525 224.1
[M+CH3COO]- 436.18090 209.9
[M+Na-2H]- 398.14172 203.1
[M]+ 377.16650 199.5
[M]- 377.16760 199.5
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

patents stripe