CID 46318007

2-bromo-6-(trifluoromethyl)pyridin-3-ol

Structural Information

Molecular Formula
C6H3BrF3NO
SMILES
C1=CC(=NC(=C1O)Br)C(F)(F)F
InChI
InChI=1S/C6H3BrF3NO/c7-5-3(12)1-2-4(11-5)6(8,9)10/h1-2,12H
InChIKey
HMOAJSVNWQZSAL-UHFFFAOYSA-N
Compound name
2-bromo-6-(trifluoromethyl)pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

240.93501 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.942286 140.2
[M+Na]+ 263.924228 153.8
[M-H]- 239.927734 141.0
[M+NH4]+ 258.968833 159.8
[M+K]+ 279.898168 142.0
[M+H-H2O]+ 223.932270 138.3
[M+HCOO]- 285.933211 156.1
[M+CH3COO]- 299.948861 184.9
[M+Na-2H]- 261.909676 147.5
[M]+ 240.93446142 154.4
[M]- 240.93555858 154.4
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