CID 10631894

267876-28-8

Structural Information

Molecular Formula

C₉H₉F₂NO₂

SMILES

CCOC(=O)C(C1=CC=CC=N1)(F)F

InChI

InChI=1S/C9H9F2NO2/c1-2-14-8(13)9(10,11)7-5-3-4-6-12-7/h3-6H,2H2,1H3

InChIKey

AHLZMMPDDACOQX-UHFFFAOYSA-N

Compound name

ethyl 2,2-difluoro-2-pyridin-2-ylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 148
Patents: 201.06013 Da
Monoisotopic Mass: 1.8
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]+	202.06741	139.3
[M+Na]+	224.04935	147.3
[M-H]-	200.05285	139.0
[M+NH4]+	219.09395	157.0
[M+K]+	240.02329	145.7
[M+H-H2O]+	184.05739	131.2
[M+HCOO]-	246.05833	158.5
[M+CH3COO]-	260.07398	183.0
[M+Na-2H]-	222.03480	145.9
[M]+	201.05958	138.3
[M]-	201.06068	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe