CID 104317

2,6-dichloropyridin-3-ol

Structural Information

Molecular Formula
C5H3Cl2NO
SMILES
C1=CC(=NC(=C1O)Cl)Cl
InChI
InChI=1S/C5H3Cl2NO/c6-4-2-1-3(9)5(7)8-4/h1-2,9H
InChIKey
CDDCESLWCVAQMG-UHFFFAOYSA-N
Compound name
2,6-dichloropyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

162.95917 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.96645 123.5
[M+Na]+ 185.94839 135.1
[M-H]- 161.95189 124.5
[M+NH4]+ 180.99299 144.0
[M+K]+ 201.92233 130.4
[M+H-H2O]+ 145.95643 119.8
[M+HCOO]- 207.95737 137.1
[M+CH3COO]- 221.97302 172.4
[M+Na-2H]- 183.93384 130.9
[M]+ 162.95862 125.5
[M]- 162.95972 125.5
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