CID 84651002

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

Structural Information

Molecular Formula
C6H6F2N2O
SMILES
C1=C(N(C=N1)CC(F)F)C=O
InChI
InChI=1S/C6H6F2N2O/c7-6(8)2-10-4-9-1-5(10)3-11/h1,3-4,6H,2H2
InChIKey
XJSZVCFTCSJNIJ-UHFFFAOYSA-N
Compound name
3-(2,2-difluoroethyl)imidazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

160.04482 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.052096 127.1
[M+Na]+ 183.034038 136.7
[M-H]- 159.037544 125.8
[M+NH4]+ 178.078643 147.1
[M+K]+ 199.007978 135.2
[M+H-H2O]+ 143.042080 118.6
[M+HCOO]- 205.043021 148.1
[M+CH3COO]- 219.058671 176.3
[M+Na-2H]- 181.019486 131.5
[M]+ 160.04427142 125.9
[M]- 160.04536858 125.9
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

patents stripe