CID 4281883

36913-91-4

Structural Information

Molecular Formula
C8F18O5S2
SMILES
C(C(C(F)(F)S(=O)(=O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F
InChI
InChI=1S/C8F18O5S2/c9-1(10,5(17,18)19)3(13,14)7(23,24)32(27,28)31-33(29,30)8(25,26)4(15,16)2(11,12)6(20,21)22
InChIKey
QKIHLPFZYGFMDK-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

590
Patents

581.88995 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.89723 177.1
[M+Na]+ 604.87917 179.1
[M-H]- 580.88267 185.2
[M+NH4]+ 599.92377 189.2
[M+K]+ 620.85311 189.1
[M+H-H2O]+ 564.88721 165.2
[M+HCOO]- 626.88815 198.4
[M+CH3COO]- 640.90380 239.5
[M+Na-2H]- 602.86462 176.0
[M]+ 581.88940 181.7
[M]- 581.89050 181.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe