CID 91618751

5-fluoro-3-methyl-2-(trifluoromethyl)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

179.03581 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04309 129.4
[M+Na]+ 202.02503 140.3
[M-H]- 178.02853 127.3
[M+NH4]+ 197.06963 148.7
[M+K]+ 217.99897 137.5
[M+H-H2O]+ 162.03307 120.5
[M+HCOO]- 224.03401 147.4
[M+CH3COO]- 238.04966 181.1
[M+Na-2H]- 200.01048 135.6
[M]+ 179.03526 124.5
[M]- 179.03636 124.5
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