CID 36343

33148-55-9

Structural Information

Molecular Formula
C15H12O3
SMILES
C1=CC=C(C=C1)CC(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C15H12O3/c16-14(10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)15(17)18/h1-9H,10H2,(H,17,18)
InChIKey
NJXDTGLUPRKMFN-UHFFFAOYSA-N
Compound name
2-(2-phenylacetyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

39
Patents

240.07864 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08592 153.4
[M+Na]+ 263.06786 167.0
[M+NH4]+ 258.11246 161.1
[M+K]+ 279.04180 160.5
[M-H]- 239.07136 156.7
[M+Na-2H]- 261.05331 161.8
[M]+ 240.07809 156.2
[M]- 240.07919 156.2
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