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]+ 177.07216 132.0
[M+Na]+ 199.05410 140.8
[M-H]- 175.05760 134.2
[M+NH4]+ 194.09870 148.9
[M+K]+ 215.02804 139.7
[M+H-H2O]+ 159.06214 125.8
[M+HCOO]- 221.06308 151.0
[M+CH3COO]- 235.07873 184.6
[M+Na-2H]- 197.03955 135.2
[M]+ 176.06433 132.9
[M]- 176.06543 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.