CID 12810471

80194-71-4

Structural Information

Molecular Formula
C7H2F4N2
SMILES
C1=C(C=NC(=C1F)C#N)C(F)(F)F
InChI
InChI=1S/C7H2F4N2/c8-5-1-4(7(9,10)11)3-13-6(5)2-12/h1,3H
InChIKey
APIYAXCKQVOAAR-UHFFFAOYSA-N
Compound name
3-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

190.01541 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.02269 128.0
[M+Na]+ 213.00463 139.7
[M-H]- 189.00813 125.5
[M+NH4]+ 208.04923 144.5
[M+K]+ 228.97857 136.8
[M+H-H2O]+ 173.01267 112.6
[M+HCOO]- 235.01361 143.0
[M+CH3COO]- 249.02926 194.4
[M+Na-2H]- 210.99008 133.9
[M]+ 190.01486 118.2
[M]- 190.01596 118.2
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