CID 2328516

6-chloro-3-nitropyridin-2-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

173.98322 Da
Monoisotopic Mass

1.1
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

literature stripe

Patent stripe

patents stripe