CID 21766017

2-chloro-4-nitropyridin-3-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
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

literature stripe

Patent stripe

patents stripe