CID 59082

101913-70-6

Structural Information

Molecular Formula
C8H8F6O3
SMILES
CC(=O)CC(=O)CC(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C8H8F6O3/c1-4(15)2-5(16)3-6(17,7(9,10)11)8(12,13)14/h17H,2-3H2,1H3
InChIKey
GFJDOGDBHNOIOK-UHFFFAOYSA-N
Compound name
7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.03775 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.04503 147.5
[M+Na]+ 289.02697 155.2
[M-H]- 265.03047 139.0
[M+NH4]+ 284.07157 163.0
[M+K]+ 305.00091 153.6
[M+H-H2O]+ 249.03501 139.1
[M+HCOO]- 311.03595 157.3
[M+CH3COO]- 325.05160 193.2
[M+Na-2H]- 287.01242 150.0
[M]+ 266.03720 139.6
[M]- 266.03830 139.6
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.