CID 297765

101832-49-9

Structural Information

Molecular Formula
C10H12F6O2
SMILES
C1CC2CC1C(C2O)C(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C10H12F6O2/c11-9(12,13)8(18,10(14,15)16)6-4-1-2-5(3-4)7(6)17/h4-7,17-18H,1-3H2
InChIKey
ILLVFOZLYMIIFO-UHFFFAOYSA-N
Compound name
3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)bicyclo[2.2.1]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.07416 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.08144 157.0
[M+Na]+ 301.06338 164.8
[M-H]- 277.06688 149.9
[M+NH4]+ 296.10798 176.8
[M+K]+ 317.03732 161.2
[M+H-H2O]+ 261.07142 150.4
[M+HCOO]- 323.07236 164.2
[M+CH3COO]- 337.08801 192.7
[M+Na-2H]- 299.04883 158.9
[M]+ 278.07361 146.1
[M]- 278.07471 146.1
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.