CID 55279252

1261663-47-1

Structural Information

Molecular Formula

C₆H₅Cl₂NO₃S

SMILES

COC1=C(C=CC(=N1)Cl)S(=O)(=O)Cl

InChI

InChI=1S/C6H5Cl2NO3S/c1-12-6-4(13(8,10)11)2-3-5(7)9-6/h2-3H,1H3

InChIKey

PGUKRCJUXXVSSR-UHFFFAOYSA-N

Compound name

6-chloro-2-methoxypyridine-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 240.93672 Da
Monoisotopic Mass: 2.1
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]+	241.94400	140.1
[M+Na]+	263.92594	152.1
[M-H]-	239.92944	143.4
[M+NH4]+	258.97054	158.7
[M+K]+	279.89988	147.7
[M+H-H2O]+	223.93398	136.3
[M+HCOO]-	285.93492	149.0
[M+CH3COO]-	299.95057	184.4
[M+Na-2H]-	261.91139	144.9
[M]+	240.93617	147.2
[M]-	240.93727	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe