CID 44480568

1193009-93-6

Structural Information

Molecular Formula
C13H15F13O
SMILES
CCCCCOCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H15F13O/c1-2-3-4-6-27-7-5-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h2-7H2,1H3
InChIKey
IMLHOIBHVRYUCZ-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-pentoxyoctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

434.09152 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.09880 182.4
[M+Na]+ 457.08074 182.3
[M+NH4]+ 452.12534 181.5
[M+K]+ 473.05468 180.9
[M-H]- 433.08424 177.9
[M+Na-2H]- 455.06619 180.5
[M]+ 434.09097 181.0
[M]- 434.09207 181.0
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