CID 58493

7-chloro-7,7-difluoro-6-trifluoromethylheptan-2,4-dion-6-ol

Structural Information

Molecular Formula
C8H8ClF5O3
SMILES
CC(=O)CC(=O)CC(C(F)(F)F)(C(F)(F)Cl)O
InChI
InChI=1S/C8H8ClF5O3/c1-4(15)2-5(16)3-6(17,7(9,10)11)8(12,13)14/h17H,2-3H2,1H3
InChIKey
RPPNTTQJCLRAMM-UHFFFAOYSA-N
Compound name
6-[chloro(difluoro)methyl]-7,7,7-trifluoro-6-hydroxyheptane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0082 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.01548 147.3
[M+Na]+ 304.99742 155.7
[M-H]- 281.00092 140.3
[M+NH4]+ 300.04202 163.2
[M+K]+ 320.97136 152.3
[M+H-H2O]+ 265.00546 140.7
[M+HCOO]- 327.00640 154.0
[M+CH3COO]- 341.02205 194.6
[M+Na-2H]- 302.98287 150.4
[M]+ 282.00765 143.0
[M]- 282.00875 143.0
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.