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
2
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 190.6
[M+Na]+ 457.08074 198.0
[M-H]- 433.08424 166.9
[M+NH4]+ 452.12534 172.6
[M+K]+ 473.05468 194.3
[M+H-H2O]+ 417.08878 176.4
[M+HCOO]- 479.08972 186.5
[M+CH3COO]- 493.10537 229.2
[M+Na-2H]- 455.06619 191.7
[M]+ 434.09097 165.9
[M]- 434.09207 165.9
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

patents stripe