CID 84151

4-phenylbenzoyl chloride

Structural Information

Molecular Formula
C13H9ClO
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)Cl
InChI
InChI=1S/C13H9ClO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKey
JPVUWCPKMYXOKW-UHFFFAOYSA-N
Compound name
4-phenylbenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

3300
Patents

216.0342 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.041476 143.5
[M+Na]+ 239.023418 152.4
[M-H]- 215.026924 150.3
[M+NH4]+ 234.068023 162.6
[M+K]+ 254.997358 147.2
[M+H-H2O]+ 199.031460 137.4
[M+HCOO]- 261.032401 163.1
[M+CH3COO]- 275.048051 186.0
[M+Na-2H]- 237.008866 149.8
[M]+ 216.03365142 144.9
[M]- 216.03474858 144.9
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