CID 75376

2356-01-6

Structural Information

Molecular Formula
C8H2F12O
SMILES
C(C(F)(F)F)OC1=C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C8H2F12O/c9-2-3(21-1-4(10,11)12)6(15,16)8(19,20)7(17,18)5(2,13)14/h1H2
InChIKey
YKHXNYZQQZHKRX-UHFFFAOYSA-N
Compound name
1,3,3,4,4,5,5,6,6-nonafluoro-2-(2,2,2-trifluoroethoxy)cyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

341.9914 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.99868 150.7
[M+Na]+ 364.98062 165.8
[M-H]- 340.98412 142.1
[M+NH4]+ 360.02522 171.9
[M+K]+ 380.95456 162.1
[M+H-H2O]+ 324.98866 140.2
[M+HCOO]- 386.98960 158.5
[M+CH3COO]- 401.00525 210.5
[M+Na-2H]- 362.96607 153.4
[M]+ 341.99085 136.6
[M]- 341.99195 136.6
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

patents stripe