CID 197065

Phenacyltriphenylphosphonium bromide

Structural Information

Molecular Formula
C26H22OP
SMILES
C1=CC=C(C=C1)C(=O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H22OP/c27-26(22-13-5-1-6-14-22)21-28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2/q+1
InChIKey
CBQRJWBLUBDHAZ-UHFFFAOYSA-N
Compound name
phenacyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

970
Patents

381.14084 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.14812 201.8
[M+Na]+ 404.13006 204.4
[M-H]- 380.13356 211.7
[M+NH4]+ 399.17466 211.3
[M+K]+ 420.10400 192.3
[M+H-H2O]+ 364.13810 190.7
[M+HCOO]- 426.13904 225.9
[M+CH3COO]- 440.15469 212.7
[M+Na-2H]- 402.11551 204.6
[M]+ 381.14029 197.9
[M]- 381.14139 197.9
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