CID 66148658

1-(2,2,2-trifluoroethyl)-1h-imidazole-5-carbaldehyde

Structural Information

Molecular Formula
C6H5F3N2O
SMILES
C1=C(N(C=N1)CC(F)(F)F)C=O
InChI
InChI=1S/C6H5F3N2O/c7-6(8,9)3-11-4-10-1-5(11)2-12/h1-2,4H,3H2
InChIKey
YRROZXLAOVDPQU-UHFFFAOYSA-N
Compound name
3-(2,2,2-trifluoroethyl)imidazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

178.0354 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.042676 130.2
[M+Na]+ 201.024618 140.6
[M-H]- 177.028124 127.7
[M+NH4]+ 196.069223 149.6
[M+K]+ 216.998558 138.6
[M+H-H2O]+ 161.032660 121.4
[M+HCOO]- 223.033601 149.5
[M+CH3COO]- 237.049251 177.9
[M+Na-2H]- 199.010066 135.9
[M]+ 178.03485142 127.7
[M]- 178.03594858 127.7
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.