CID 14761446

4-methyl-2-(trifluoromethyl)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

551
Patents

161.04523 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05251 127.0
[M+Na]+ 184.03445 136.9
[M-H]- 160.03795 125.9
[M+NH4]+ 179.07905 146.8
[M+K]+ 200.00839 134.5
[M+H-H2O]+ 144.04249 118.8
[M+HCOO]- 206.04343 146.1
[M+CH3COO]- 220.05908 177.1
[M+Na-2H]- 182.01990 134.5
[M]+ 161.04468 122.9
[M]- 161.04578 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

No literature data available for this compound.

Patent stripe

patents stripe