CID 137945165

2260932-35-0

Structural Information

Molecular Formula

C₆H₅ClFNO₂S

SMILES

CC1=CC(=CN=C1S(=O)(=O)F)Cl

InChI

InChI=1S/C6H5ClFNO2S/c1-4-2-5(7)3-9-6(4)12(8,10)11/h2-3H,1H3

InChIKey

MBBOHRHXEPDYBN-UHFFFAOYSA-N

Compound name

5-chloro-3-methylpyridine-2-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 208.97136 Da
Monoisotopic Mass: 2.0
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]+	209.978636	133.7
[M+Na]+	231.960578	145.8
[M-H]-	207.964084	136.0
[M+NH4]+	227.005183	153.2
[M+K]+	247.934518	141.5
[M+H-H2O]+	191.968620	128.3
[M+HCOO]-	253.969561	146.3
[M+CH3COO]-	267.985211	180.3
[M+Na-2H]-	229.946026	138.4
[M]+	208.97081142	137.6
[M]-	208.97190858	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.