CID 17850713

2-methyl-[1,1'-biphenyl]-3-carboxylic acid

Structural Information

Molecular Formula
C14H12O2
SMILES
CC1=C(C=CC=C1C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C14H12O2/c1-10-12(11-6-3-2-4-7-11)8-5-9-13(10)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey
HOAIMLUVGBVVFZ-UHFFFAOYSA-N
Compound name
2-methyl-3-phenylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

152
Patents

212.08372 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09100 145.0
[M+Na]+ 235.07294 153.1
[M-H]- 211.07644 151.0
[M+NH4]+ 230.11754 163.1
[M+K]+ 251.04688 149.4
[M+H-H2O]+ 195.08098 138.4
[M+HCOO]- 257.08192 167.6
[M+CH3COO]- 271.09757 185.8
[M+Na-2H]- 233.05839 150.1
[M]+ 212.08317 144.6
[M]- 212.08427 144.6
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