CID 2763652

2-mercapto-5-nitropyridine

Structural Information

Molecular Formula

C₅H₄N₂O₂S

SMILES

C1=CC(=S)NC=C1[N+](=O)[O-]

InChI

InChI=1S/C5H4N2O2S/c8-7(9)4-1-2-5(10)6-3-4/h1-3H,(H,6,10)

InChIKey

BHQUBONFIYNJDA-UHFFFAOYSA-N

Compound name

5-nitro-1H-pyridine-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 674
Patents: 155.99934 Da
Monoisotopic Mass: 0.4
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]+	157.00662	124.2
[M+Na]+	178.98856	137.5
[M+NH4]+	174.03316	132.7
[M+K]+	194.96250	132.6
[M-H]-	154.99206	126.7
[M+Na-2H]-	176.97401	130.6
[M]+	155.99879	127.0
[M]-	155.99989	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe