CID 294166

101931-57-1

Structural Information

Molecular Formula
C7H10F6O2
SMILES
CC(C)(CC(C(F)(F)F)(C(F)(F)F)O)O
InChI
InChI=1S/C7H10F6O2/c1-4(2,14)3-5(15,6(8,9)10)7(11,12)13/h14-15H,3H2,1-2H3
InChIKey
BXXMNESHOLNUNS-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane-2,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

240.0585 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.06578 144.5
[M+Na]+ 263.04772 152.4
[M-H]- 239.05122 135.0
[M+NH4]+ 258.09232 160.7
[M+K]+ 279.02166 150.4
[M+H-H2O]+ 223.05576 136.9
[M+HCOO]- 285.05670 152.8
[M+CH3COO]- 299.07235 186.8
[M+Na-2H]- 261.03317 150.0
[M]+ 240.05795 134.8
[M]- 240.05905 134.8
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

patents stripe