CID 121602208

1-(2,2,2-trifluoroethyl)-1h-imidazol-2-amine

Structural Information

Molecular Formula
C5H6F3N3
SMILES
C1=CN(C(=N1)N)CC(F)(F)F
InChI
InChI=1S/C5H6F3N3/c6-5(7,8)3-11-2-1-10-4(11)9/h1-2H,3H2,(H2,9,10)
InChIKey
UCSRLEUMYFSNEX-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoroethyl)imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.05138 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.058656 127.8
[M+Na]+ 188.040598 137.5
[M-H]- 164.044104 124.9
[M+NH4]+ 183.085203 147.2
[M+K]+ 204.014538 135.3
[M+H-H2O]+ 148.048640 118.8
[M+HCOO]- 210.049581 147.4
[M+CH3COO]- 224.065231 177.9
[M+Na-2H]- 186.026046 133.3
[M]+ 165.05083142 122.5
[M]- 165.05192858 122.5
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.