CID 139595277

Hopflsa n=8

Structural Information

Molecular Formula
C10H2F20O4S
SMILES
C(C(C(C(C(C(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H2F20O4S/c11-1(12)2(13,14)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)34-9(27,28)10(29,30)35(31,32)33/h1H,(H,31,32,33)
InChIKey
HPNVMLVFTBDYAB-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctoxy)ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

597.9354 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 598.94268 178.9
[M+Na]+ 620.92462 181.3
[M-H]- 596.92812 188.1
[M+NH4]+ 615.96922 190.1
[M+K]+ 636.89856 192.5
[M+H-H2O]+ 580.93266 166.4
[M+HCOO]- 642.93360 196.0
[M+CH3COO]- 656.94925 245.3
[M+Na-2H]- 618.91007 177.9
[M]+ 597.93485 179.4
[M]- 597.93595 179.4
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

No patent data available for this compound.