CID 165989678

1-(trifluoromethyl)-1h-imidazole-4-carbaldehyde

Structural Information

Molecular Formula
C5H3F3N2O
SMILES
C1=C(N=CN1C(F)(F)F)C=O
InChI
InChI=1S/C5H3F3N2O/c6-5(7,8)10-1-4(2-11)9-3-10/h1-3H
InChIKey
DYEMIIBBCZOJNB-UHFFFAOYSA-N
Compound name
1-(trifluoromethyl)imidazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.01974 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.02702 134.9
[M+Na]+ 187.00896 143.1
[M+NH4]+ 182.05356 139.7
[M+K]+ 202.98290 140.6
[M-H]- 163.01246 129.8
[M+Na-2H]- 184.99441 138.0
[M]+ 164.01919 134.1
[M]- 164.02029 134.1
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.