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

45
Patents

240.07864 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.085916 151.6
[M+Na]+ 263.067858 159.1
[M-H]- 239.071364 157.4
[M+NH4]+ 258.112463 168.2
[M+K]+ 279.041798 155.7
[M+H-H2O]+ 223.075900 144.7
[M+HCOO]- 285.076841 173.2
[M+CH3COO]- 299.092491 191.0
[M+Na-2H]- 261.053306 154.9
[M]+ 240.07809142 151.6
[M]- 240.07918858 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

No literature data available for this compound.

Patent stripe

patents stripe