CID 139596985

2-((1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexyl)oxy)- 1,1,2,2-tetrafluoroethane-1-sulfonic acid

Structural Information

Molecular Formula
C8H2F16O4S
SMILES
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
InChI
InChI=1S/C8H2F16O4S/c9-1(10)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)28-7(21,22)8(23,24)29(25,26)27/h1H,(H,25,26,27)
InChIKey
RVODMNZNWMCSJP-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexoxy)-1,1,2,2-tetrafluoroethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

497.94183 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.94911 163.2
[M+Na]+ 520.93105 166.7
[M-H]- 496.93455 169.9
[M+NH4]+ 515.97565 172.7
[M+K]+ 536.90499 174.3
[M+H-H2O]+ 480.93909 152.7
[M+HCOO]- 542.94003 181.4
[M+CH3COO]- 556.95568 230.4
[M+Na-2H]- 518.91650 161.6
[M]+ 497.94128 163.8
[M]- 497.94238 163.8
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.