CID 55279372

1261806-80-7

Structural Information

Molecular Formula

C₆H₅Cl₂NO₃S

SMILES

COC1=CC(=C(N=C1)Cl)S(=O)(=O)Cl

InChI

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

InChIKey

CHUDRLIRFODEIB-UHFFFAOYSA-N

Compound name

2-chloro-5-methoxypyridine-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.93672 Da
Monoisotopic Mass: 1.8
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]+	241.943996	140.1
[M+Na]+	263.925938	152.1
[M-H]-	239.929444	143.4
[M+NH4]+	258.970543	158.7
[M+K]+	279.899878	147.7
[M+H-H2O]+	223.933980	136.3
[M+HCOO]-	285.934921	149.0
[M+CH3COO]-	299.950571	184.4
[M+Na-2H]-	261.911386	144.9
[M]+	240.93617142	147.2
[M]-	240.93726858	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.