CID 18995390

Schembl16245138

Structural Information

Molecular Formula
C10H5F17O3S
SMILES
CCOS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H5F17O3S/c1-2-30-31(28,29)10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h2H2,1H3
InChIKey
UPKHVSOBXKSAKW-UHFFFAOYSA-N
Compound name
ethyl 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

527.9688 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.97608 171.5
[M+Na]+ 550.95802 175.4
[M-H]- 526.96152 178.2
[M+NH4]+ 546.00262 182.1
[M+K]+ 566.93196 184.5
[M+H-H2O]+ 510.96606 160.2
[M+HCOO]- 572.96700 192.8
[M+CH3COO]- 586.98265 237.6
[M+Na-2H]- 548.94347 170.2
[M]+ 527.96825 173.8
[M]- 527.96935 173.8
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