CID 81136

2-chloro-3-hydroxypyridine

Structural Information

Molecular Formula
C5H4ClNO
SMILES
C1=CC(=C(N=C1)Cl)O
InChI
InChI=1S/C5H4ClNO/c6-5-4(8)2-1-3-7-5/h1-3,8H
InChIKey
RSOPTYAZDFSMTN-UHFFFAOYSA-N
Compound name
2-chloropyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1593
Patents

128.99814 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.00542 118.5
[M+Na]+ 151.98736 128.9
[M-H]- 127.99086 120.0
[M+NH4]+ 147.03196 139.7
[M+K]+ 167.96130 125.6
[M+H-H2O]+ 111.99540 113.9
[M+HCOO]- 173.99634 137.3
[M+CH3COO]- 188.01199 166.2
[M+Na-2H]- 149.97281 127.4
[M]+ 128.99759 119.3
[M]- 128.99869 119.3
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