CID 44480567

1193010-01-3

Structural Information

Molecular Formula
C11H11F13O
SMILES
CCCOCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H11F13O/c1-2-4-25-5-3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2-5H2,1H3
InChIKey
OBQBCHMEIBSHBO-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-propoxyoctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

99
Patents

406.06024 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.06752 181.5
[M+Na]+ 429.04946 189.7
[M-H]- 405.05296 167.1
[M+NH4]+ 424.09406 164.9
[M+K]+ 445.02340 186.4
[M+H-H2O]+ 389.05750 167.6
[M+HCOO]- 451.05844 179.5
[M+CH3COO]- 465.07409 223.8
[M+Na-2H]- 427.03491 183.6
[M]+ 406.05969 163.9
[M]- 406.06079 163.9
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