CID 72183134

5-chloro-6-(trifluoromethyl)pyridin-2-ol

Structural Information

Molecular Formula
C6H3ClF3NO
SMILES
C1=CC(=O)NC(=C1Cl)C(F)(F)F
InChI
InChI=1S/C6H3ClF3NO/c7-3-1-2-4(12)11-5(3)6(8,9)10/h1-2H,(H,11,12)
InChIKey
KYZQVVDYMFKTCD-UHFFFAOYSA-N
Compound name
5-chloro-6-(trifluoromethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.98552 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.99280 129.4
[M+Na]+ 219.97474 141.2
[M-H]- 195.97824 127.3
[M+NH4]+ 215.01934 148.1
[M+K]+ 235.94868 136.1
[M+H-H2O]+ 179.98278 122.5
[M+HCOO]- 241.98372 143.3
[M+CH3COO]- 255.99937 177.5
[M+Na-2H]- 217.96019 135.9
[M]+ 196.98497 126.2
[M]- 196.98607 126.2
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

No patent data available for this compound.