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: 0
Patents: 625.9162 Da
Monoisotopic Mass: 5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	626.923476	185.9
[M+Na]+	648.905418	187.1
[M-H]-	624.908924	193.9
[M+NH4]+	643.950023	198.5
[M+K]+	664.879358	197.7
[M+H-H2O]+	608.913460	173.7
[M+HCOO]-	670.914401	206.4
[M+CH3COO]-	684.930051	245.5
[M+Na-2H]-	646.890866	183.6
[M]+	625.91565142	190.5
[M]-	625.91674858	190.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe