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

742
Patents

128.99814 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.00542 118.6
[M+Na]+ 151.98736 133.4
[M+NH4]+ 147.03196 127.8
[M+K]+ 167.96130 126.6
[M-H]- 127.99086 120.1
[M+Na-2H]- 149.97281 126.8
[M]+ 128.99759 121.4
[M]- 128.99869 121.4
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

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