CID 57361942

1208081-79-1

Structural Information

Molecular Formula

C₆H₂Cl₂F₃NO₂S

SMILES

C1=C(C=NC(=C1S(=O)(=O)Cl)Cl)C(F)(F)F

InChI

InChI=1S/C6H2Cl2F3NO2S/c7-5-4(15(8,13)14)1-3(2-12-5)6(9,10)11/h1-2H

InChIKey

PKOSYNUDTZKZAU-UHFFFAOYSA-N

Compound name

2-chloro-5-(trifluoromethyl)pyridine-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 278.91354 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]+	279.92082	151.9
[M+Na]+	301.90276	161.7
[M+NH4]+	296.94736	157.0
[M+K]+	317.87670	155.6
[M-H]-	277.90626	147.3
[M+Na-2H]-	299.88821	155.4
[M]+	278.91299	152.7
[M]-	278.91409	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe