CID 138395751

Dtxsid50881341

Structural Information

Molecular Formula
C8F18O
SMILES
C(C(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8F18O/c9-1(10,2(11,12)4(15,16)6(19,20)21)3(13,14)5(17,18)7(22,23)27-8(24,25)26
InChIKey
YNBWNZPDOMGTFG-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(trifluoromethoxy)heptane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

453.9662 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.973476 154.3
[M+Na]+ 476.955418 160.4
[M-H]- 452.958924 160.2
[M+NH4]+ 472.000023 163.0
[M+K]+ 492.929358 167.6
[M+H-H2O]+ 436.963460 171.6
[M+HCOO]- 498.964401 175.8
[M+CH3COO]- 512.980051 230.0
[M+Na-2H]- 474.940866 189.9
[M]+ 453.96565142 153.1
[M]- 453.96674858 153.1
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