CID 215054

34844-41-2

Structural Information

Molecular Formula
C12H16F6O2
SMILES
CC1=CC(C(C(C1)(C)C)C(C(F)(F)F)(C(F)(F)F)O)O
InChI
InChI=1S/C12H16F6O2/c1-6-4-7(19)8(9(2,3)5-6)10(20,11(13,14)15)12(16,17)18/h4,7-8,19-20H,5H2,1-3H3
InChIKey
MXANCGMHRZANOV-UHFFFAOYSA-N
Compound name
6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,5,5-trimethylcyclohex-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.10544 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.11272 162.4
[M+Na]+ 329.09466 171.0
[M-H]- 305.09816 156.1
[M+NH4]+ 324.13926 178.5
[M+K]+ 345.06860 167.6
[M+H-H2O]+ 289.10270 154.7
[M+HCOO]- 351.10364 169.4
[M+CH3COO]- 365.11929 200.2
[M+Na-2H]- 327.08011 164.8
[M]+ 306.10489 151.8
[M]- 306.10599 151.8
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

No patent data available for this compound.