CID 519282

4-chloro-3-nitro-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C5H3ClN2O3
SMILES
C1=CNC(=O)C(=C1Cl)[N+](=O)[O-]
InChI
InChI=1S/C5H3ClN2O3/c6-3-1-2-7-5(9)4(3)8(10)11/h1-2H,(H,7,9)
InChIKey
UKIZCTHOMJXNIX-UHFFFAOYSA-N
Compound name
4-chloro-3-nitro-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

247
Patents

173.98322 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.99050 127.0
[M+Na]+ 196.97244 137.0
[M-H]- 172.97594 128.7
[M+NH4]+ 192.01704 145.5
[M+K]+ 212.94638 129.5
[M+H-H2O]+ 156.98048 127.0
[M+HCOO]- 218.98142 147.1
[M+CH3COO]- 232.99707 167.5
[M+Na-2H]- 194.95789 136.0
[M]+ 173.98267 126.4
[M]- 173.98377 126.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe