CID 74892833

(3-bromo-5-fluoropyridin-4-yl)methanol

Structural Information

Molecular Formula
C6H5BrFNO
SMILES
C1=C(C(=C(C=N1)Br)CO)F
InChI
InChI=1S/C6H5BrFNO/c7-5-1-9-2-6(8)4(5)3-10/h1-2,10H,3H2
InChIKey
ZWLOVNMLDKYAMK-UHFFFAOYSA-N
Compound name
(3-bromo-5-fluoro-4-pyridinyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

204.95386 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.961136 130.9
[M+Na]+ 227.943078 144.1
[M-H]- 203.946584 134.1
[M+NH4]+ 222.987683 152.1
[M+K]+ 243.917018 132.9
[M+H-H2O]+ 187.951120 130.5
[M+HCOO]- 249.952061 150.5
[M+CH3COO]- 263.967711 180.0
[M+Na-2H]- 225.928526 139.3
[M]+ 204.95331142 148.1
[M]- 204.95440858 148.1
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