CID 14761452

2-methyl-6-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C7H6F3N
SMILES
CC1=NC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C7H6F3N/c1-5-3-2-4-6(11-5)7(8,9)10/h2-4H,1H3
InChIKey
UTGYDHHZGXOFMZ-UHFFFAOYSA-N
Compound name
2-methyl-6-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

968
Patents

161.04523 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.052506 127.0
[M+Na]+ 184.034448 136.9
[M-H]- 160.037954 125.9
[M+NH4]+ 179.079053 146.8
[M+K]+ 200.008388 134.5
[M+H-H2O]+ 144.042490 118.8
[M+HCOO]- 206.043431 146.1
[M+CH3COO]- 220.059081 177.1
[M+Na-2H]- 182.019896 134.5
[M]+ 161.04468142 122.9
[M]- 161.04577858 122.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe