CID 67295046

2-(5-bromo-3-fluoropyridin-2-yl)propan-2-ol

Structural Information

Molecular Formula
C8H9BrFNO
SMILES
CC(C)(C1=C(C=C(C=N1)Br)F)O
InChI
InChI=1S/C8H9BrFNO/c1-8(2,12)7-6(10)3-5(9)4-11-7/h3-4,12H,1-2H3
InChIKey
UTCCEFHCFDSTNH-UHFFFAOYSA-N
Compound name
2-(5-bromo-3-fluoropyridin-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

232.98515 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.99243 141.5
[M+Na]+ 255.97437 154.3
[M-H]- 231.97787 144.7
[M+NH4]+ 251.01897 161.7
[M+K]+ 271.94831 142.9
[M+H-H2O]+ 215.98241 141.2
[M+HCOO]- 277.98335 158.9
[M+CH3COO]- 291.99900 186.0
[M+Na-2H]- 253.95982 149.3
[M]+ 232.98460 158.9
[M]- 232.98570 158.9
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