CID 132343802

4,4-difluorocyclohexane-1,3-dione

Structural Information

Molecular Formula
C6H6F2O2
SMILES
C1CC(C(=O)CC1=O)(F)F
InChI
InChI=1S/C6H6F2O2/c7-6(8)2-1-4(9)3-5(6)10/h1-3H2
InChIKey
LZEJWJHWESNWCI-UHFFFAOYSA-N
Compound name
4,4-difluorocyclohexane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.03358 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.04086 122.5
[M+Na]+ 171.02280 131.5
[M-H]- 147.02630 123.9
[M+NH4]+ 166.06740 145.9
[M+K]+ 186.99674 130.3
[M+H-H2O]+ 131.03084 117.0
[M+HCOO]- 193.03178 142.5
[M+CH3COO]- 207.04743 172.9
[M+Na-2H]- 169.00825 128.2
[M]+ 148.03303 117.3
[M]- 148.03413 117.3
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.