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

100
Patents

190.9382 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.94548 126.2
[M+Na]+ 213.92742 139.8
[M-H]- 189.93092 129.6
[M+NH4]+ 208.97202 147.9
[M+K]+ 229.90136 128.9
[M+H-H2O]+ 173.93546 126.0
[M+HCOO]- 235.93640 146.2
[M+CH3COO]- 249.95205 177.2
[M+Na-2H]- 211.91287 135.2
[M]+ 190.93765 143.1
[M]- 190.93875 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