CID 72212617

1196152-24-5

Structural Information

Molecular Formula

C₇H₅ClF₃NO₂S

SMILES

C1=CC(=NC=C1CS(=O)(=O)Cl)C(F)(F)F

InChI

InChI=1S/C7H5ClF3NO2S/c8-15(13,14)4-5-1-2-6(12-3-5)7(9,10)11/h1-3H,4H2

InChIKey

SDURBVICPBSGGG-UHFFFAOYSA-N

Compound name

[6-(trifluoromethyl)-3-pyridinyl]methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.96817 Da
Monoisotopic Mass: 1.7
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]+	259.975446	143.7
[M+Na]+	281.957388	154.8
[M-H]-	257.960894	143.0
[M+NH4]+	277.001993	160.7
[M+K]+	297.931328	149.9
[M+H-H2O]+	241.965430	136.2
[M+HCOO]-	303.966371	152.4
[M+CH3COO]-	317.982021	187.4
[M+Na-2H]-	279.942836	148.4
[M]+	258.96762142	144.6
[M]-	258.96871858	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.