CID 117725396

2-fluoro-5-methyl-4-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C7H5F4N
SMILES
CC1=CN=C(C=C1C(F)(F)F)F
InChI
InChI=1S/C7H5F4N/c1-4-3-12-6(8)2-5(4)7(9,10)11/h2-3H,1H3
InChIKey
JYQNQKMGUGPMNR-UHFFFAOYSA-N
Compound name
2-fluoro-5-methyl-4-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

179.03581 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04309 142.6
[M+Na]+ 202.02503 151.7
[M+NH4]+ 197.06963 147.7
[M+K]+ 217.99897 146.4
[M-H]- 178.02853 138.4
[M+Na-2H]- 200.01048 146.5
[M]+ 179.03526 142.4
[M]- 179.03636 142.4
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