CID 31647

2-benzoylphenylacetic acid

Structural Information

Molecular Formula
C15H12O3
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=CC=C2CC(=O)O
InChI
InChI=1S/C15H12O3/c16-14(17)10-12-8-4-5-9-13(12)15(18)11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
InChIKey
RWOPZYIDUDXHIB-UHFFFAOYSA-N
Compound name
2-(2-benzoylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
Patents

240.07864 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.085916 152.4
[M+Na]+ 263.067858 158.9
[M-H]- 239.071364 157.7
[M+NH4]+ 258.112463 168.6
[M+K]+ 279.041798 155.4
[M+H-H2O]+ 223.075900 145.2
[M+HCOO]- 285.076841 173.9
[M+CH3COO]- 299.092491 189.8
[M+Na-2H]- 261.053306 156.3
[M]+ 240.07809142 151.9
[M]- 240.07918858 151.9
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