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
2
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 179.6
[M+Na]+ 464.98006 165.8
[M-H]- 440.98356 164.1
[M+NH4]+ 460.02466 169.4
[M+K]+ 480.95400 184.7
[M+H-H2O]+ 424.98810 165.5
[M+HCOO]- 486.98904 182.9
[M+CH3COO]- 501.00469 223.8
[M+Na-2H]- 462.96551 182.7
[M]+ 441.99029 163.5
[M]- 441.99139 163.5
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.