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]+ 147.036446 124.0
[M+Na]+ 169.018388 132.3
[M-H]- 145.021894 121.1
[M+NH4]+ 164.062993 143.3
[M+K]+ 184.992328 130.6
[M+H-H2O]+ 129.026430 115.6
[M+HCOO]- 191.027371 142.7
[M+CH3COO]- 205.043021 170.4
[M+Na-2H]- 167.003836 127.8
[M]+ 146.02862142 119.4
[M]- 146.02971858 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