CID 6463

Benzilic acid

Structural Information

Molecular Formula
C14H12O3
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)O
InChI
InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)
InChIKey
UKXSKSHDVLQNKG-UHFFFAOYSA-N
Compound name
2-hydroxy-2,2-diphenylacetic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

36
References

10859
Patents

228.07864 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08592 149.4
[M+Na]+ 251.06786 155.4
[M-H]- 227.07136 153.4
[M+NH4]+ 246.11246 165.4
[M+K]+ 267.04180 151.8
[M+H-H2O]+ 211.07590 143.0
[M+HCOO]- 273.07684 169.0
[M+CH3COO]- 287.09249 183.5
[M+Na-2H]- 249.05331 156.1
[M]+ 228.07809 147.2
[M]- 228.07919 147.2
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