CID 11924

2-benzylbenzoic acid

Structural Information

Molecular Formula
C14H12O2
SMILES
C1=CC=C(C=C1)CC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C14H12O2/c15-14(16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
InChIKey
FESDHLLVLYZNFY-UHFFFAOYSA-N
Compound name
2-benzylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

32
References

5395
Patents

212.08372 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09100 145.6
[M+Na]+ 235.07294 152.7
[M-H]- 211.07644 151.1
[M+NH4]+ 230.11754 163.3
[M+K]+ 251.04688 148.9
[M+H-H2O]+ 195.08098 138.8
[M+HCOO]- 257.08192 168.2
[M+CH3COO]- 271.09757 184.7
[M+Na-2H]- 233.05839 151.4
[M]+ 212.08317 144.8
[M]- 212.08427 144.8
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