CID 55266054

2-(trifluoromethyl)pyridine-3-acetonitrile

Structural Information

Molecular Formula
C8H5F3N2
SMILES
C1=CC(=C(N=C1)C(F)(F)F)CC#N
InChI
InChI=1S/C8H5F3N2/c9-8(10,11)7-6(3-4-12)2-1-5-13-7/h1-2,5H,3H2
InChIKey
KOBJGXAOLWPNNU-UHFFFAOYSA-N
Compound name
2-[2-(trifluoromethyl)pyridin-3-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.04048 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.04776 143.0
[M+Na]+ 209.02970 153.3
[M+NH4]+ 204.07430 145.7
[M+K]+ 225.00364 144.1
[M-H]- 185.03320 132.9
[M+Na-2H]- 207.01515 145.4
[M]+ 186.03993 140.7
[M]- 186.04103 140.7
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

No patent data available for this compound.