CID 57841

100427-76-7

Structural Information

Molecular Formula
C12H10F6O2
SMILES
C1=CC=C(C=C1)C(CC2(C(C(C2(F)F)(F)F)(F)F)O)O
InChI
InChI=1S/C12H10F6O2/c13-10(14)9(20,11(15,16)12(10,17)18)6-8(19)7-4-2-1-3-5-7/h1-5,8,19-20H,6H2
InChIKey
XBINKEYSONWDHP-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4-hexafluoro-1-(2-hydroxy-2-phenylethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.0585 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.06578 164.3
[M+Na]+ 323.04772 174.7
[M-H]- 299.05122 162.6
[M+NH4]+ 318.09232 179.7
[M+K]+ 339.02166 172.7
[M+H-H2O]+ 283.05576 153.1
[M+HCOO]- 345.05670 176.2
[M+CH3COO]- 359.07235 200.6
[M+Na-2H]- 321.03317 166.8
[M]+ 300.05795 165.5
[M]- 300.05905 165.5
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.