CID 2782575

261503-40-6

Structural Information

Molecular Formula
C8H2F12O2
SMILES
C(C(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(=O)C(F)(F)F
InChI
InChI=1S/C8H2F12O2/c9-4(10,2(21)1-3(22)5(11,12)13)6(14,15)7(16,17)8(18,19)20/h1H2
InChIKey
WNIYZRDLOGYCIO-UHFFFAOYSA-N
Compound name
1,1,1,5,5,6,6,7,7,8,8,8-dodecafluorooctane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

357.98633 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.99361 161.0
[M+Na]+ 380.97555 170.2
[M-H]- 356.97905 147.8
[M+NH4]+ 376.02015 155.4
[M+K]+ 396.94949 167.7
[M+H-H2O]+ 340.98359 148.4
[M+HCOO]- 402.98453 164.8
[M+CH3COO]- 417.00018 212.6
[M+Na-2H]- 378.96100 162.6
[M]+ 357.98578 143.4
[M]- 357.98688 143.4
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