CID 14761444

2-methyl-4-(trifluoromethyl)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

688
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

literature stripe

Patent stripe

patents stripe