CID 3494771

1,1-difluoropropan-2-one

Structural Information

Molecular Formula
C3H4F2O
SMILES
CC(=O)C(F)F
InChI
InChI=1S/C3H4F2O/c1-2(6)3(4)5/h3H,1H3
InChIKey
XHILZHAQBOLGFD-UHFFFAOYSA-N
Compound name
1,1-difluoropropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

899
Patents

94.02302 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.030296 111.3
[M+Na]+ 117.01224 119.6
[M-H]- 93.015744 109.5
[M+NH4]+ 112.05684 134.7
[M+K]+ 132.98618 120.3
[M+H-H2O]+ 77.020280 105.8
[M+HCOO]- 139.02122 132.4
[M+CH3COO]- 153.03687 166.4
[M+Na-2H]- 114.99769 116.5
[M]+ 94.022471 108.4
[M]- 94.023569 108.4
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