CID 50989384

2-[1-(2,2,2-trifluoroethyl)-1h-imidazol-2-yl]acetonitrile

Structural Information

Molecular Formula
C7H6F3N3
SMILES
C1=CN(C(=N1)CC#N)CC(F)(F)F
InChI
InChI=1S/C7H6F3N3/c8-7(9,10)5-13-4-3-12-6(13)1-2-11/h3-4H,1,5H2
InChIKey
WWHCIFNAXSSZJE-UHFFFAOYSA-N
Compound name
2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.05138 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.05866 142.5
[M+Na]+ 212.04060 151.3
[M+NH4]+ 207.08520 144.5
[M+K]+ 228.01454 144.3
[M-H]- 188.04410 131.1
[M+Na-2H]- 210.02605 143.4
[M]+ 189.05083 139.5
[M]- 189.05193 139.5
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

No patent data available for this compound.