CID 22577

Brn 2979757

Structural Information

Molecular Formula
C8H8Cl2F4O3
SMILES
CC(=O)CC(=O)CC(C(F)(F)Cl)(C(F)(F)Cl)O
InChI
InChI=1S/C8H8Cl2F4O3/c1-4(15)2-5(16)3-6(17,7(9,11)12)8(10,13)14/h17H,2-3H2,1H3
InChIKey
IDICRHDPRLGJHQ-UHFFFAOYSA-N
Compound name
7-chloro-6-[chloro(difluoro)methyl]-7,7-difluoro-6-hydroxyheptane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.97867 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.98595 148.0
[M+Na]+ 320.96789 156.6
[M-H]- 296.97139 142.1
[M+NH4]+ 316.01249 163.8
[M+K]+ 336.94183 152.0
[M+H-H2O]+ 280.97593 143.2
[M+HCOO]- 342.97687 151.1
[M+CH3COO]- 356.99252 196.9
[M+Na-2H]- 318.95334 151.3
[M]+ 297.97812 146.4
[M]- 297.97922 146.4
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.