CID 98979

34844-42-3

Structural Information

Molecular Formula
C13H20F6O2
SMILES
CC1CCC(C(C1C(C(F)(F)F)(C(F)(F)F)O)O)C(C)C
InChI
InChI=1S/C13H20F6O2/c1-6(2)8-5-4-7(3)9(10(8)20)11(21,12(14,15)16)13(17,18)19/h6-10,20-21H,4-5H2,1-3H3
InChIKey
RWABFIHTJVNYGG-UHFFFAOYSA-N
Compound name
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methyl-6-propan-2-ylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.13675 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.14403 168.7
[M+Na]+ 345.12597 174.6
[M-H]- 321.12947 161.5
[M+NH4]+ 340.17057 181.9
[M+K]+ 361.09991 171.3
[M+H-H2O]+ 305.13401 159.9
[M+HCOO]- 367.13495 172.8
[M+CH3COO]- 381.15060 204.8
[M+Na-2H]- 343.11142 167.0
[M]+ 322.13620 156.0
[M]- 322.13730 156.0
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.