CID 2777557

6-(trifluoromethyl)nicotinoyl chloride

Structural Information

Molecular Formula

C₇H₃ClF₃NO

SMILES

C1=CC(=NC=C1C(=O)Cl)C(F)(F)F

InChI

InChI=1S/C7H3ClF3NO/c8-6(13)4-1-2-5(12-3-4)7(9,10)11/h1-3H

InChIKey

DDIXMUVENCORLG-UHFFFAOYSA-N

Compound name

6-(trifluoromethyl)pyridine-3-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 389
Patents: 208.98552 Da
Monoisotopic Mass: 2.3
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]+	209.99280	133.0
[M+Na]+	231.97474	143.7
[M-H]-	207.97824	131.9
[M+NH4]+	227.01934	151.5
[M+K]+	247.94868	139.6
[M+H-H2O]+	191.98278	125.4
[M+HCOO]-	253.98372	147.1
[M+CH3COO]-	267.99937	182.8
[M+Na-2H]-	229.96019	139.1
[M]+	208.98497	131.1
[M]-	208.98607	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe