CID 19996518

5-bromo-4-(trifluoromethyl)pyridin-2-ol

Structural Information

Molecular Formula
C6H3BrF3NO
SMILES
C1=C(C(=CNC1=O)Br)C(F)(F)F
InChI
InChI=1S/C6H3BrF3NO/c7-4-2-11-5(12)1-3(4)6(8,9)10/h1-2H,(H,11,12)
InChIKey
YTZVETQYEBOYJY-UHFFFAOYSA-N
Compound name
5-bromo-4-(trifluoromethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

240.93501 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.94229 138.9
[M+Na]+ 263.92423 152.8
[M-H]- 239.92773 139.8
[M+NH4]+ 258.96883 158.6
[M+K]+ 279.89817 140.5
[M+H-H2O]+ 223.93227 137.2
[M+HCOO]- 285.93321 155.1
[M+CH3COO]- 299.94886 184.1
[M+Na-2H]- 261.90968 146.3
[M]+ 240.93446 152.5
[M]- 240.93556 152.5
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