CID 5993188

34848-37-8

Structural Information

Molecular Formula
C13H12F6O2
SMILES
C1=CC=C(C=C1)/C=C/C(CC(C(F)(F)F)(C(F)(F)F)O)O
InChI
InChI=1S/C13H12F6O2/c14-12(15,16)11(21,13(17,18)19)8-10(20)7-6-9-4-2-1-3-5-9/h1-7,10,20-21H,8H2/b7-6+
InChIKey
RQOACHKKGFEMHR-VOTSOKGWSA-N
Compound name
(E)-1,1,1-trifluoro-6-phenyl-2-(trifluoromethyl)hex-5-ene-2,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.07416 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08144 164.5
[M+Na]+ 337.06338 171.1
[M-H]- 313.06688 157.3
[M+NH4]+ 332.10798 177.3
[M+K]+ 353.03732 166.2
[M+H-H2O]+ 297.07142 154.5
[M+HCOO]- 359.07236 173.1
[M+CH3COO]- 373.08801 198.4
[M+Na-2H]- 335.04883 167.3
[M]+ 314.07361 154.2
[M]- 314.07471 154.2
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.