CID 39871269

N-(2,2,2-trifluoroethyl)-1h-imidazole-1-carboxamide

Structural Information

Molecular Formula
C6H6F3N3O
SMILES
C1=CN(C=N1)C(=O)NCC(F)(F)F
InChI
InChI=1S/C6H6F3N3O/c7-6(8,9)3-11-5(13)12-2-1-10-4-12/h1-2,4H,3H2,(H,11,13)
InChIKey
IPENWKDFQGPYQR-UHFFFAOYSA-N
Compound name
N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

193.0463 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.05358 139.3
[M+Na]+ 216.03552 145.6
[M+NH4]+ 211.08012 143.4
[M+K]+ 232.00946 144.0
[M-H]- 192.03902 134.1
[M+Na-2H]- 214.02097 142.0
[M]+ 193.04575 138.1
[M]- 193.04685 138.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe