CID 91971224

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

Structural Information

Molecular Formula
C7H6F3NO
SMILES
CC1=C(C=CC(=N1)C(F)(F)F)O
InChI
InChI=1S/C7H6F3NO/c1-4-5(12)2-3-6(11-4)7(8,9)10/h2-3,12H,1H3
InChIKey
HVWCUSHLKIFYMF-UHFFFAOYSA-N
Compound name
2-methyl-6-(trifluoromethyl)pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

177.04015 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.047426 130.7
[M+Na]+ 200.029368 141.1
[M-H]- 176.032874 128.6
[M+NH4]+ 195.073973 149.4
[M+K]+ 216.003308 138.3
[M+H-H2O]+ 160.037410 122.9
[M+HCOO]- 222.038351 148.6
[M+CH3COO]- 236.054001 177.5
[M+Na-2H]- 198.014816 137.0
[M]+ 177.03960142 126.6
[M]- 177.04069858 126.6
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