CID 80302380

4,4-difluoro-1-(1-methylcyclopropyl)butane-1,3-dione

Structural Information

Molecular Formula
C8H10F2O2
SMILES
CC1(CC1)C(=O)CC(=O)C(F)F
InChI
InChI=1S/C8H10F2O2/c1-8(2-3-8)6(12)4-5(11)7(9)10/h7H,2-4H2,1H3
InChIKey
YXIDGJQMZBDJPH-UHFFFAOYSA-N
Compound name
4,4-difluoro-1-(1-methylcyclopropyl)butane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.06488 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.072156 132.0
[M+Na]+ 199.054098 140.8
[M-H]- 175.057604 134.2
[M+NH4]+ 194.098703 148.9
[M+K]+ 215.028038 139.7
[M+H-H2O]+ 159.062140 125.8
[M+HCOO]- 221.063081 151.0
[M+CH3COO]- 235.078731 184.6
[M+Na-2H]- 197.039546 135.2
[M]+ 176.06433142 132.9
[M]- 176.06542858 132.9
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.