CID 158512030

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

Structural Information

Molecular Formula
C5H6F2N2
SMILES
CC(C1=NC=CN1)(F)F
InChI
InChI=1S/C5H6F2N2/c1-5(6,7)4-8-2-3-9-4/h2-3H,1H3,(H,8,9)
InChIKey
HLEHVMKAGWCVOZ-UHFFFAOYSA-N
Compound name
2-(1,1-difluoroethyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.04991 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.057186 122.1
[M+Na]+ 155.039128 131.2
[M-H]- 131.042634 119.4
[M+NH4]+ 150.083733 142.5
[M+K]+ 171.013068 129.2
[M+H-H2O]+ 115.047170 114.5
[M+HCOO]- 177.048111 140.9
[M+CH3COO]- 191.063761 167.9
[M+Na-2H]- 153.024576 129.0
[M]+ 132.04936142 117.6
[M]- 132.05045858 117.6
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