CID 131697693

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

Structural Information

Molecular Formula
C7H6F3NO
SMILES
CC1=CC(=CN=C1C(F)(F)F)O
InChI
InChI=1S/C7H6F3NO/c1-4-2-5(12)3-11-6(4)7(8,9)10/h2-3,12H,1H3
InChIKey
OYMANMVJKUJZAW-UHFFFAOYSA-N
Compound name
5-methyl-6-(trifluoromethyl)pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 130.7
[M+Na]+ 200.02937 141.1
[M-H]- 176.03287 128.6
[M+NH4]+ 195.07397 149.4
[M+K]+ 216.00331 138.3
[M+H-H2O]+ 160.03741 122.9
[M+HCOO]- 222.03835 148.6
[M+CH3COO]- 236.05400 177.5
[M+Na-2H]- 198.01482 137.0
[M]+ 177.03960 126.6
[M]- 177.04070 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