CID 66159

Methyl benzilate

Structural Information

Molecular Formula
C15H14O3
SMILES
COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C15H14O3/c1-18-14(16)15(17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,17H,1H3
InChIKey
LJFIHTFNTGQZJL-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

161
Patents

242.0943 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 154.7
[M+Na]+ 265.08352 167.9
[M+NH4]+ 260.12812 162.6
[M+K]+ 281.05746 161.8
[M-H]- 241.08702 157.7
[M+Na-2H]- 263.06897 163.8
[M]+ 242.09375 157.5
[M]- 242.09485 157.5
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