CID 71464053

6-chloro-5-nitropyridin-2-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

173.98322 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.990496 127.0
[M+Na]+ 196.972438 137.0
[M-H]- 172.975944 128.7
[M+NH4]+ 192.017043 145.5
[M+K]+ 212.946378 129.5
[M+H-H2O]+ 156.980480 127.0
[M+HCOO]- 218.981421 147.1
[M+CH3COO]- 232.997071 167.5
[M+Na-2H]- 194.957886 136.0
[M]+ 173.98267142 126.4
[M]- 173.98376858 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