CID 54759089

2-chloro-5-(trifluoromethyl)pyridin-3-ol

Structural Information

Molecular Formula
C6H3ClF3NO
SMILES
C1=C(C=NC(=C1O)Cl)C(F)(F)F
InChI
InChI=1S/C6H3ClF3NO/c7-5-4(12)1-3(2-11-5)6(8,9)10/h1-2,12H
InChIKey
FKCDGTROGJFCOT-UHFFFAOYSA-N
Compound name
2-chloro-5-(trifluoromethyl)pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

196.98552 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.992796 130.2
[M+Na]+ 219.974738 141.7
[M-H]- 195.978244 128.0
[M+NH4]+ 215.019343 148.9
[M+K]+ 235.948678 137.2
[M+H-H2O]+ 179.982780 123.2
[M+HCOO]- 241.983721 143.9
[M+CH3COO]- 255.999371 178.4
[M+Na-2H]- 217.960186 136.7
[M]+ 196.98497142 127.7
[M]- 196.98606858 127.7
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