CID 582210

3-chloro-2-hydroxypyridine

Structural Information

Molecular Formula
C5H4ClNO
SMILES
C1=CNC(=O)C(=C1)Cl
InChI
InChI=1S/C5H4ClNO/c6-4-2-1-3-7-5(4)8/h1-3H,(H,7,8)
InChIKey
XTYNIPUFKBBALX-UHFFFAOYSA-N
Compound name
3-chloro-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

872
Patents

128.99814 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.005416 117.9
[M+Na]+ 151.987358 128.6
[M-H]- 127.990864 119.3
[M+NH4]+ 147.031963 139.0
[M+K]+ 167.961298 124.6
[M+H-H2O]+ 111.995400 113.3
[M+HCOO]- 173.996341 136.8
[M+CH3COO]- 188.011991 165.4
[M+Na-2H]- 149.972806 126.7
[M]+ 128.99759142 117.9
[M]- 128.99868858 117.9
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