CID 55288394

2-(difluoromethyl)-4,5-dihydro-1h-imidazole

Structural Information

Molecular Formula
C4H6F2N2
SMILES
C1CN=C(N1)C(F)F
InChI
InChI=1S/C4H6F2N2/c5-3(6)4-7-1-2-8-4/h3H,1-2H2,(H,7,8)
InChIKey
GFFIEWICDZPBLS-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

120.049904 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.05718 119.3
[M+Na]+ 143.03912 127.1
[M-H]- 119.04263 116.1
[M+NH4]+ 138.08373 139.8
[M+K]+ 159.01306 125.6
[M+H-H2O]+ 103.04716 111.1
[M+HCOO]- 165.04810 137.5
[M+CH3COO]- 179.06376 165.8
[M+Na-2H]- 141.02457 123.9
[M]+ 120.04936 112.9
[M]- 120.05045 112.9
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

No patent data available for this compound.