CID 2756267

199678-04-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
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 152.9
[M+Na]+ 263.06786 166.9
[M+NH4]+ 258.11246 160.6
[M+K]+ 279.04180 160.7
[M-H]- 239.07136 156.3
[M+Na-2H]- 261.05331 161.2
[M]+ 240.07809 155.8
[M]- 240.07919 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe