CID 88203833

2,2-difluoro-1-(1h-imidazol-2-yl)ethan-1-one

Structural Information

Molecular Formula
C5H4F2N2O
SMILES
C1=CN=C(N1)C(=O)C(F)F
InChI
InChI=1S/C5H4F2N2O/c6-4(7)3(10)5-8-1-2-9-5/h1-2,4H,(H,8,9)
InChIKey
UAJNIZRZSBHFKQ-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-(1H-imidazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

146.02917 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.03645 124.0
[M+Na]+ 169.01839 132.3
[M-H]- 145.02189 121.1
[M+NH4]+ 164.06299 143.3
[M+K]+ 184.99233 130.6
[M+H-H2O]+ 129.02643 115.6
[M+HCOO]- 191.02737 142.7
[M+CH3COO]- 205.04302 170.4
[M+Na-2H]- 167.00384 127.8
[M]+ 146.02862 119.4
[M]- 146.02972 119.4
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