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-fluoro-2-pyridinyl)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]+ 233.992426 141.5
[M+Na]+ 255.974368 154.3
[M-H]- 231.977874 144.7
[M+NH4]+ 251.018973 161.7
[M+K]+ 271.948308 142.9
[M+H-H2O]+ 215.982410 141.2
[M+HCOO]- 277.983351 158.9
[M+CH3COO]- 291.999001 186.0
[M+Na-2H]- 253.959816 149.3
[M]+ 232.98460142 158.9
[M]- 232.98569858 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