CID 21262154

Lithium(1+) ion 6-chloropyridine-3-sulfinate

Structural Information

Molecular Formula

C₅H₄ClNO₂S

SMILES

C1=CC(=NC=C1S(=O)O)Cl

InChI

InChI=1S/C5H4ClNO2S/c6-5-2-1-4(3-7-5)10(8)9/h1-3H,(H,8,9)

InChIKey

XKLNBCWWGSOFEL-UHFFFAOYSA-N

Compound name

6-chloropyridine-3-sulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 176.96513 Da
Monoisotopic Mass: 1.0
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]+	177.97241	127.1
[M+Na]+	199.95435	137.4
[M-H]-	175.95785	129.0
[M+NH4]+	194.99895	146.8
[M+K]+	215.92829	133.6
[M+H-H2O]+	159.96239	122.6
[M+HCOO]-	221.96333	140.0
[M+CH3COO]-	235.97898	172.2
[M+Na-2H]-	197.93980	131.4
[M]+	176.96458	130.1
[M]-	176.96568	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe