CID 12771215

Phenyl (chloroformyl)phenylacetate

Structural Information

Molecular Formula
C15H11ClO3
SMILES
C1=CC=C(C=C1)C(C(=O)OC2=CC=CC=C2)C(=O)Cl
InChI
InChI=1S/C15H11ClO3/c16-14(17)13(11-7-3-1-4-8-11)15(18)19-12-9-5-2-6-10-12/h1-10,13H
InChIKey
MCVBDJMXSHYJAZ-UHFFFAOYSA-N
Compound name
phenyl 3-chloro-3-oxo-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

274.03967 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.046946 158.1
[M+Na]+ 297.028888 164.8
[M-H]- 273.032394 164.5
[M+NH4]+ 292.073493 174.3
[M+K]+ 313.002828 160.8
[M+H-H2O]+ 257.036930 151.4
[M+HCOO]- 319.037871 175.8
[M+CH3COO]- 333.053521 195.1
[M+Na-2H]- 295.014336 161.7
[M]+ 274.03912142 160.9
[M]- 274.04021858 160.9
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