CID 13271510

92978-07-9

Structural Information

Molecular Formula
C7F16O
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)(OC(C(F)(F)F)(F)F)F
InChI
InChI=1S/C7F16O/c8-1(9,2(10,11)4(13,14)15)3(12,5(16,17)18)24-7(22,23)6(19,20)21
InChIKey
LSIARSWKMVWQLP-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,5,5,5-undecafluoro-4-(1,1,2,2,2-pentafluoroethoxy)pentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

403.96936 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.97664 174.9
[M+Na]+ 426.95858 185.0
[M-H]- 402.96208 159.1
[M+NH4]+ 422.00318 155.1
[M+K]+ 442.93252 182.2
[M+H-H2O]+ 386.96662 160.0
[M+HCOO]- 448.96756 169.5
[M+CH3COO]- 462.98321 220.9
[M+Na-2H]- 424.94403 178.0
[M]+ 403.96881 150.7
[M]- 403.96991 150.7
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.