CID 13172602

1,2-ethanediyl bis(perfluorobutanesulfonate)

Structural Information

Molecular Formula
C10H4F18O6S2
SMILES
C(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H4F18O6S2/c11-3(12,7(19,20)21)5(15,16)9(25,26)35(29,30)33-1-2-34-36(31,32)10(27,28)6(17,18)4(13,14)8(22,23)24/h1-2H2
InChIKey
BDECUGBELKMLSH-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)ethyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

625.9162 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 626.92348 185.9
[M+Na]+ 648.90542 187.1
[M-H]- 624.90892 193.9
[M+NH4]+ 643.95002 198.5
[M+K]+ 664.87936 197.7
[M+H-H2O]+ 608.91346 173.7
[M+HCOO]- 670.91440 206.4
[M+CH3COO]- 684.93005 245.5
[M+Na-2H]- 646.89087 183.6
[M]+ 625.91565 190.5
[M]- 625.91675 190.5
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

patents stripe