CID 2763652

5-nitropyridine-2-thiol

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

757
Patents

155.99934 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.00662 124.2
[M+Na]+ 178.98856 132.9
[M-H]- 154.99206 126.0
[M+NH4]+ 174.03316 142.9
[M+K]+ 194.96250 125.3
[M+H-H2O]+ 138.99660 123.0
[M+HCOO]- 200.99754 143.3
[M+CH3COO]- 215.01319 164.4
[M+Na-2H]- 176.97401 131.1
[M]+ 155.99879 121.4
[M]- 155.99989 121.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe