CID 98981

35444-15-6

Structural Information

Molecular Formula
C10H10F6O2
SMILES
C1CC2CC1C(C2=O)C(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C10H10F6O2/c11-9(12,13)8(18,10(14,15)16)6-4-1-2-5(3-4)7(6)17/h4-6,18H,1-3H2
InChIKey
KQAHYMADBRGOHE-UHFFFAOYSA-N
Compound name
3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)bicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.0585 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.06578 155.8
[M+Na]+ 299.04772 164.4
[M-H]- 275.05122 150.2
[M+NH4]+ 294.09232 176.4
[M+K]+ 315.02166 161.0
[M+H-H2O]+ 259.05576 149.1
[M+HCOO]- 321.05670 164.7
[M+CH3COO]- 335.07235 194.3
[M+Na-2H]- 297.03317 158.1
[M]+ 276.05795 146.0
[M]- 276.05905 146.0
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.