CID 228397

1,3-difluoroacetone

Structural Information

Molecular Formula
C3H4F2O
SMILES
C(C(=O)CF)F
InChI
InChI=1S/C3H4F2O/c4-1-3(6)2-5/h1-2H2
InChIKey
HKIPCXRNASWFRU-UHFFFAOYSA-N
Compound name
1,3-difluoropropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

29
References

2184
Patents

94.02302 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.030296 116.9
[M+Na]+ 117.01224 126.2
[M+NH4]+ 112.05684 124.0
[M+K]+ 132.98618 121.3
[M-H]- 93.015744 113.6
[M+Na-2H]- 114.99769 120.2
[M]+ 94.022471 116.9
[M]- 94.023569 116.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe