CID 165363146

Nafion byproduct 6

Structural Information

Molecular Formula
C6H2F12O4S
SMILES
C(C(C(C(F)(F)F)(OC(C(F)(F)S(=O)(=O)O)(F)F)F)(F)F)(F)F
InChI
InChI=1S/C6H2F12O4S/c7-1(8)2(9,10)3(11,4(12,13)14)22-5(15,16)6(17,18)23(19,20)21/h1H,(H,19,20,21)
InChIKey
ZCFAUORWUURMJU-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrafluoro-2-(1,1,1,2,3,3,4,4-octafluorobutan-2-yloxy)ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.9482 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.95548 164.0
[M+Na]+ 420.93742 172.3
[M-H]- 396.94092 149.3
[M+NH4]+ 415.98202 156.7
[M+K]+ 436.91136 169.7
[M+H-H2O]+ 380.94546 151.0
[M+HCOO]- 442.94640 168.5
[M+CH3COO]- 456.96205 212.4
[M+Na-2H]- 418.92287 166.9
[M]+ 397.94765 148.9
[M]- 397.94875 148.9
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.