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

53
Patents

196.98552 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.99280 130.2
[M+Na]+ 219.97474 141.7
[M-H]- 195.97824 128.0
[M+NH4]+ 215.01934 148.9
[M+K]+ 235.94868 137.2
[M+H-H2O]+ 179.98278 123.2
[M+HCOO]- 241.98372 143.9
[M+CH3COO]- 255.99937 178.4
[M+Na-2H]- 217.96019 136.7
[M]+ 196.98497 127.7
[M]- 196.98607 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