CID 2760341

3-phenoxybenzoyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

274
Patents

232.02911 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.036386 146.7
[M+Na]+ 255.018328 155.5
[M-H]- 231.021834 153.5
[M+NH4]+ 250.062933 165.2
[M+K]+ 270.992268 151.0
[M+H-H2O]+ 215.026370 140.4
[M+HCOO]- 277.027311 166.6
[M+CH3COO]- 291.042961 188.0
[M+Na-2H]- 253.003776 153.0
[M]+ 232.02856142 149.6
[M]- 232.02965858 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