CID 118434268

1804705-94-9

Structural Information

Molecular Formula

C₉H₈ClF₂NO₂

SMILES

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

InChI

InChI=1S/C9H8ClF2NO2/c1-2-15-9(14)7-6(10)3-5(4-13-7)8(11)12/h3-4,8H,2H2,1H3

InChIKey

FCKUBRRFBRDHLV-UHFFFAOYSA-N

Compound name

ethyl 3-chloro-5-(difluoromethyl)pyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 235.02116 Da
Monoisotopic Mass: 2.7
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]+	236.02844	142.0
[M+Na]+	258.01038	151.9
[M-H]-	234.01388	142.0
[M+NH4]+	253.05498	159.6
[M+K]+	273.98432	148.5
[M+H-H2O]+	218.01842	134.6
[M+HCOO]-	280.01936	157.3
[M+CH3COO]-	294.03501	189.7
[M+Na-2H]-	255.99583	145.0
[M]+	235.02061	143.8
[M]-	235.02171	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe