CID 2773978

147404-69-1

Structural Information

Molecular Formula
C14H12O2
SMILES
CC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)O
InChI
InChI=1S/C14H12O2/c1-10-5-7-11(8-6-10)12-3-2-4-13(9-12)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey
APYJGQZXCGXMGB-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

128
Patents

212.08372 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09100 146.4
[M+Na]+ 235.07294 161.4
[M+NH4]+ 230.11754 155.2
[M+K]+ 251.04688 154.1
[M-H]- 211.07644 150.7
[M+Na-2H]- 233.05839 155.8
[M]+ 212.08317 149.9
[M]- 212.08427 149.9
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