CID 77019

Methyl diphenylacetate

Structural Information

Molecular Formula

C₁₅H₁₄O₂

SMILES

COC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C15H14O2/c1-17-15(16)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3

InChIKey

AORIUCNKPVHMTN-UHFFFAOYSA-N

Compound name

methyl 2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 294
Patents: 226.09938 Da
Monoisotopic Mass: 3.4
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]+	227.106656	150.8
[M+Na]+	249.088598	156.7
[M-H]-	225.092104	157.2
[M+NH4]+	244.133203	168.2
[M+K]+	265.062538	154.0
[M+H-H2O]+	209.096640	143.3
[M+HCOO]-	271.097581	173.5
[M+CH3COO]-	285.113231	189.3
[M+Na-2H]-	247.074046	155.9
[M]+	226.09883142	151.0
[M]-	226.09992858	151.0

Literature stripe

literature stripe

Patent stripe

patents stripe