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

3
Annotation Hits: 0
References: 268
Patents: 242.0943 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	243.101576	154.0
[M+Na]+	265.083518	160.1
[M-H]-	241.087024	159.2
[M+NH4]+	260.128123	170.2
[M+K]+	281.057458	157.1
[M+H-H2O]+	225.091560	147.0
[M+HCOO]-	287.092501	174.8
[M+CH3COO]-	301.108151	188.3
[M+Na-2H]-	263.068966	160.6
[M]+	242.09375142	153.9
[M]-	242.09484858	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe