CID 18458777

5-bromo-6-fluoropyridin-3-ol

Structural Information

Molecular Formula
C5H3BrFNO
SMILES
C1=C(C=NC(=C1Br)F)O
InChI
InChI=1S/C5H3BrFNO/c6-4-1-3(9)2-8-5(4)7/h1-2,9H
InChIKey
APZDTSYBPUWQHB-UHFFFAOYSA-N
Compound name
5-bromo-6-fluoropyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

190.9382 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.945476 126.2
[M+Na]+ 213.927418 139.8
[M-H]- 189.930924 129.6
[M+NH4]+ 208.972023 147.9
[M+K]+ 229.901358 128.9
[M+H-H2O]+ 173.935460 126.0
[M+HCOO]- 235.936401 146.2
[M+CH3COO]- 249.952051 177.2
[M+Na-2H]- 211.912866 135.2
[M]+ 190.93765142 143.1
[M]- 190.93874858 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe