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 134.7
[M+Na]+ 216.03552 143.1
[M-H]- 192.03902 132.1
[M+NH4]+ 211.08012 152.9
[M+K]+ 232.00946 141.5
[M+H-H2O]+ 176.04356 125.2
[M+HCOO]- 238.04450 154.1
[M+CH3COO]- 252.06015 181.0
[M+Na-2H]- 214.02097 140.3
[M]+ 193.04575 130.3
[M]- 193.04685 130.3
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.