CID 57822914

3-chloropyridine-4-thiol

Structural Information

Molecular Formula

SMILES

C1=CNC=C(C1=S)Cl

InChI

InChI=1S/C5H4ClNS/c6-4-3-7-2-1-5(4)8/h1-3H,(H,7,8)

InChIKey

WOLJMFIAVKCWFE-UHFFFAOYSA-N

Compound name

3-chloro-1H-pyridine-4-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 144.9753 Da
Monoisotopic Mass: 1.6
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]+	145.982576	120.7
[M+Na]+	167.964518	131.6
[M-H]-	143.968024	122.6
[M+NH4]+	163.009123	142.0
[M+K]+	183.938458	126.4
[M+H-H2O]+	127.972560	116.6
[M+HCOO]-	189.973501	134.1
[M+CH3COO]-	203.989151	167.3
[M+Na-2H]-	165.949966	126.0
[M]+	144.97475142	121.4
[M]-	144.97584858	121.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe