CID 131090584

1934900-46-5

Structural Information

Molecular Formula

C₇H₇Cl₂NO₂S

SMILES

CC1=CC(=CC(=N1)Cl)CS(=O)(=O)Cl

InChI

InChI=1S/C7H7Cl2NO2S/c1-5-2-6(3-7(8)10-5)4-13(9,11)12/h2-3H,4H2,1H3

InChIKey

NLBFUTPESPTSSX-UHFFFAOYSA-N

Compound name

(2-chloro-6-methyl-4-pyridinyl)methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 238.95746 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]+	239.964736	141.9
[M+Na]+	261.946678	153.6
[M-H]-	237.950184	144.9
[M+NH4]+	256.991283	160.6
[M+K]+	277.920618	148.4
[M+H-H2O]+	221.954720	138.0
[M+HCOO]-	283.955661	150.1
[M+CH3COO]-	297.971311	185.3
[M+Na-2H]-	259.932126	145.9
[M]+	238.95691142	147.9
[M]-	238.95800858	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.