CID 138987940

2303420-96-2

Structural Information

Molecular Formula

C₇H₈ClNO₃S

SMILES

CC1=CC(=NC=C1S(=O)(=O)Cl)OC

InChI

InChI=1S/C7H8ClNO3S/c1-5-3-7(12-2)9-4-6(5)13(8,10)11/h3-4H,1-2H3

InChIKey

RXDMDKILVHLUFI-UHFFFAOYSA-N

Compound name

6-methoxy-4-methylpyridine-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 220.99135 Da
Monoisotopic Mass: 1.5
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]+	221.99863	139.6
[M+Na]+	243.98057	151.0
[M-H]-	219.98407	143.2
[M+NH4]+	239.02517	158.6
[M+K]+	259.95451	147.5
[M+H-H2O]+	203.98861	134.8
[M+HCOO]-	265.98955	153.1
[M+CH3COO]-	280.00520	182.7
[M+Na-2H]-	241.96602	144.5
[M]+	220.99080	146.3
[M]-	220.99190	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe