CID 14422791

5-methyl-2-(trifluoromethyl)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1502
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 135.1
[M+Na]+ 184.03445 145.5
[M+NH4]+ 179.07905 141.5
[M+K]+ 200.00839 139.9
[M-H]- 160.03795 132.4
[M+Na-2H]- 182.01990 140.6
[M]+ 161.04468 135.6
[M]- 161.04578 135.6
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

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