CID 20397537

Dtxsid80895936

Structural Information

Molecular Formula
C10H8ClF13O2S
SMILES
C(CS(=O)(=O)CCCl)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H8ClF13O2S/c11-2-4-27(25,26)3-1-5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)24/h1-4H2
InChIKey
REEZRLCBIOJNCB-UHFFFAOYSA-N
Compound name
8-(2-chloroethylsulfonyl)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

473.9726 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.97988 182.0
[M+Na]+ 496.96182 190.6
[M-H]- 472.96532 168.1
[M+NH4]+ 492.00642 175.6
[M+K]+ 512.93576 185.1
[M+H-H2O]+ 456.96986 168.4
[M+HCOO]- 518.97080 188.9
[M+CH3COO]- 532.98645 227.8
[M+Na-2H]- 494.94727 184.4
[M]+ 473.97205 167.9
[M]- 473.97315 167.9
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