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]+ 180.043086 129.4
[M+Na]+ 202.025028 140.3
[M-H]- 178.028534 127.3
[M+NH4]+ 197.069633 148.7
[M+K]+ 217.998968 137.5
[M+H-H2O]+ 162.033070 120.5
[M+HCOO]- 224.034011 147.4
[M+CH3COO]- 238.049661 181.1
[M+Na-2H]- 200.010476 135.6
[M]+ 179.03526142 124.5
[M]- 179.03635858 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