CID 69084872

(5-bromo-2-fluoropyridin-3-yl)methanol

Structural Information

Molecular Formula
C6H5BrFNO
SMILES
C1=C(C=NC(=C1CO)F)Br
InChI
InChI=1S/C6H5BrFNO/c7-5-1-4(3-10)6(8)9-2-5/h1-2,10H,3H2
InChIKey
LWJZBGIOIZYWAX-UHFFFAOYSA-N
Compound name
(5-bromo-2-fluoropyridin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

204.95386 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.96114 130.9
[M+Na]+ 227.94308 144.1
[M-H]- 203.94658 134.1
[M+NH4]+ 222.98768 152.1
[M+K]+ 243.91702 132.9
[M+H-H2O]+ 187.95112 130.5
[M+HCOO]- 249.95206 150.5
[M+CH3COO]- 263.96771 180.0
[M+Na-2H]- 225.92853 139.3
[M]+ 204.95331 148.1
[M]- 204.95441 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