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
1
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 181.0
[M+Na]+ 429.04946 181.0
[M+NH4]+ 424.09406 180.1
[M+K]+ 445.02340 179.6
[M-H]- 405.05296 176.5
[M+Na-2H]- 427.03491 179.1
[M]+ 406.05969 179.6
[M]- 406.06079 179.6
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