CID 15343311

156575-40-5

Structural Information

Molecular Formula
C9H7F13O3S
SMILES
CS(=O)(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H7F13O3S/c1-26(23,24)25-3-2-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h2-3H2,1H3
InChIKey
FYYKNAPCRXPWEY-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.99084 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.99812 183.6
[M+Na]+ 464.98006 183.3
[M+NH4]+ 460.02466 182.6
[M+K]+ 480.95400 181.9
[M-H]- 440.98356 178.9
[M+Na-2H]- 462.96551 181.5
[M]+ 441.99029 182.2
[M]- 441.99139 182.2
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.