CID 11694651

636588-26-6

Structural Information

Molecular Formula

C₁₀H₉ClF₃NO₂

SMILES

CCOC(=O)C1=C(N=C(C=C1)C(F)(F)F)CCl

InChI

InChI=1S/C10H9ClF3NO2/c1-2-17-9(16)6-3-4-8(10(12,13)14)15-7(6)5-11/h3-4H,2,5H2,1H3

InChIKey

AYCFLPOPQPQINQ-UHFFFAOYSA-N

Compound name

ethyl 2-(chloromethyl)-6-(trifluoromethyl)pyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 267.0274 Da
Monoisotopic Mass: 2.4
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]+	268.034676	150.0
[M+Na]+	290.016618	160.3
[M-H]-	266.020124	148.8
[M+NH4]+	285.061223	166.5
[M+K]+	305.990558	156.1
[M+H-H2O]+	250.024660	141.9
[M+HCOO]-	312.025601	163.3
[M+CH3COO]-	326.041251	194.3
[M+Na-2H]-	288.002066	153.8
[M]+	267.02685142	151.0
[M]-	267.02794858	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe