CID 49757948

4-methyl-6-(trifluoromethyl)pyridin-3-ol

Structural Information

Molecular Formula
C7H6F3NO
SMILES
CC1=CC(=NC=C1O)C(F)(F)F
InChI
InChI=1S/C7H6F3NO/c1-4-2-6(7(8,9)10)11-3-5(4)12/h2-3,12H,1H3
InChIKey
PDNYSGOFXWBQKB-UHFFFAOYSA-N
Compound name
4-methyl-6-(trifluoromethyl)pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

177.04015 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04743 138.5
[M+Na]+ 200.02937 148.3
[M+NH4]+ 195.07397 144.0
[M+K]+ 216.00331 143.6
[M-H]- 176.03287 134.8
[M+Na-2H]- 198.01482 142.7
[M]+ 177.03960 138.6
[M]- 177.04070 138.6
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