CID 13222568

Methyl 2-fluoro-2,2-diphenylacetate

Structural Information

Molecular Formula

C₁₅H₁₃FO₂

SMILES

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

InChI

InChI=1S/C15H13FO2/c1-18-14(17)15(16,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3

InChIKey

VEGXGSSVPREAMX-UHFFFAOYSA-N

Compound name

methyl 2-fluoro-2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 244.08995 Da
Monoisotopic Mass: 3.7
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]+	245.097226	153.4
[M+Na]+	267.079168	160.1
[M-H]-	243.082674	158.6
[M+NH4]+	262.123773	170.3
[M+K]+	283.053108	157.0
[M+H-H2O]+	227.087210	145.4
[M+HCOO]-	289.088151	174.5
[M+CH3COO]-	303.103801	191.5
[M+Na-2H]-	265.064616	159.8
[M]+	244.08940142	152.7
[M]-	244.09049858	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe