CID 112574355

1564995-04-5

Structural Information

Molecular Formula
C7H8F2N2O
SMILES
CN1C=CN=C1CC(=O)C(F)F
InChI
InChI=1S/C7H8F2N2O/c1-11-3-2-10-6(11)4-5(12)7(8)9/h2-3,7H,4H2,1H3
InChIKey
IEEWNKFEEWHLGZ-UHFFFAOYSA-N
Compound name
1,1-difluoro-3-(1-methylimidazol-2-yl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.06047 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.06775 137.2
[M+Na]+ 197.04969 146.1
[M+NH4]+ 192.09429 142.8
[M+K]+ 213.02363 143.5
[M-H]- 173.05319 133.7
[M+Na-2H]- 195.03514 140.3
[M]+ 174.05992 137.0
[M]- 174.06102 137.0
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.