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
1
Annotation Hits

0
References

0
Patents

453.9662 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.97348 160.2
[M+Na]+ 476.95542 160.4
[M+NH4]+ 472.00002 160.1
[M+K]+ 492.92936 160.8
[M-H]- 452.95892 159.3
[M+Na-2H]- 474.94087 160.7
[M]+ 453.96565 159.9
[M]- 453.96675 159.9
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.