CID 18765698

5-chloro-2-nitropyridin-3-ol

Structural Information

Molecular Formula
C5H3ClN2O3
SMILES
C1=C(C=NC(=C1O)[N+](=O)[O-])Cl
InChI
InChI=1S/C5H3ClN2O3/c6-3-1-4(9)5(7-2-3)8(10)11/h1-2,9H
InChIKey
XRSYKYYBXLVPAJ-UHFFFAOYSA-N
Compound name
5-chloro-2-nitropyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

173.98322 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.99050 127.6
[M+Na]+ 196.97244 137.2
[M-H]- 172.97594 129.2
[M+NH4]+ 192.01704 146.1
[M+K]+ 212.94638 130.4
[M+H-H2O]+ 156.98048 127.5
[M+HCOO]- 218.98142 147.5
[M+CH3COO]- 232.99707 168.5
[M+Na-2H]- 194.95789 136.6
[M]+ 173.98267 127.6
[M]- 173.98377 127.6
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