CID 132398582

5-methyl-6-(trifluoromethyl)pyridine-3-sulfonyl chloride

Structural Information

Molecular Formula

C₇H₅ClF₃NO₂S

SMILES

CC1=CC(=CN=C1C(F)(F)F)S(=O)(=O)Cl

InChI

InChI=1S/C7H5ClF3NO2S/c1-4-2-5(15(8,13)14)3-12-6(4)7(9,10)11/h2-3H,1H3

InChIKey

NPVQFCSFNYLAIN-UHFFFAOYSA-N

Compound name

5-methyl-6-(trifluoromethyl)pyridine-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.96817 Da
Monoisotopic Mass: 2.2
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]+	259.975446	143.1
[M+Na]+	281.957388	155.1
[M-H]-	257.960894	142.8
[M+NH4]+	277.001993	160.5
[M+K]+	297.931328	150.2
[M+H-H2O]+	241.965430	135.9
[M+HCOO]-	303.966371	151.7
[M+CH3COO]-	317.982021	188.6
[M+Na-2H]-	279.942836	147.2
[M]+	258.96762142	144.4
[M]-	258.96871858	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.