CID 84071270

2,6-dimethylpyridine-3-sulfonyl chloride

Structural Information

Molecular Formula

C₇H₈ClNO₂S

SMILES

CC1=NC(=C(C=C1)S(=O)(=O)Cl)C

InChI

InChI=1S/C7H8ClNO2S/c1-5-3-4-7(6(2)9-5)12(8,10)11/h3-4H,1-2H3

InChIKey

AJLSKIGTVLDSKG-UHFFFAOYSA-N

Compound name

2,6-dimethylpyridine-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 204.99643 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]+	206.00371	141.1
[M+Na]+	227.98565	154.9
[M+NH4]+	223.03025	149.4
[M+K]+	243.95959	146.9
[M-H]-	203.98915	141.9
[M+Na-2H]-	225.97110	147.1
[M]+	204.99588	144.1
[M]-	204.99698	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe