CID 66563

2-(4-methylbenzoyl)benzoic acid

Structural Information

Molecular Formula
C15H12O3
SMILES
CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C15H12O3/c1-10-6-8-11(9-7-10)14(16)12-4-2-3-5-13(12)15(17)18/h2-9H,1H3,(H,17,18)
InChIKey
ICQOWIXIHDDXDI-UHFFFAOYSA-N
Compound name
2-(4-methylbenzoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

315
Patents

240.07864 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08592 151.6
[M+Na]+ 263.06786 159.1
[M-H]- 239.07136 157.4
[M+NH4]+ 258.11246 168.2
[M+K]+ 279.04180 155.7
[M+H-H2O]+ 223.07590 144.7
[M+HCOO]- 285.07684 173.2
[M+CH3COO]- 299.09249 191.0
[M+Na-2H]- 261.05331 154.9
[M]+ 240.07809 151.6
[M]- 240.07919 151.6
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