CID 74193

4-phenoxybenzoyl chloride

Structural Information

Molecular Formula
C13H9ClO2
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)Cl
InChI
InChI=1S/C13H9ClO2/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H
InChIKey
AOOZVQGGMFGGEE-UHFFFAOYSA-N
Compound name
4-phenoxybenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

842
Patents

232.02911 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.03639 146.7
[M+Na]+ 255.01833 155.5
[M-H]- 231.02183 153.5
[M+NH4]+ 250.06293 165.2
[M+K]+ 270.99227 151.0
[M+H-H2O]+ 215.02637 140.4
[M+HCOO]- 277.02731 166.6
[M+CH3COO]- 291.04296 188.0
[M+Na-2H]- 253.00378 153.0
[M]+ 232.02856 149.6
[M]- 232.02966 149.6
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