CID 85621

6-chloropyridin-2-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

7
References

882
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 117.9
[M+Na]+ 151.98736 128.6
[M-H]- 127.99086 119.3
[M+NH4]+ 147.03196 139.0
[M+K]+ 167.96130 124.6
[M+H-H2O]+ 111.99540 113.3
[M+HCOO]- 173.99634 136.8
[M+CH3COO]- 188.01199 165.4
[M+Na-2H]- 149.97281 126.7
[M]+ 128.99759 117.9
[M]- 128.99869 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