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

2882
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 111.1
[M+Na]+ 117.01224 119.7
[M-H]- 93.015744 109.3
[M+NH4]+ 112.05684 134.6
[M+K]+ 132.98618 119.9
[M+H-H2O]+ 77.020280 105.6
[M+HCOO]- 139.02122 133.2
[M+CH3COO]- 153.03687 165.6
[M+Na-2H]- 114.99769 117.6
[M]+ 94.022471 108.9
[M]- 94.023569 108.9
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