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]+ 342.998676 150.7
[M+Na]+ 364.980618 165.8
[M-H]- 340.984124 142.1
[M+NH4]+ 360.025223 171.9
[M+K]+ 380.954558 162.1
[M+H-H2O]+ 324.988660 140.2
[M+HCOO]- 386.989601 158.5
[M+CH3COO]- 401.005251 210.5
[M+Na-2H]- 362.966066 153.4
[M]+ 341.99085142 136.6
[M]- 341.99194858 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