CID 139597942

2-[(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)oxy]-1,1,2,2-tetrafluoroethane-1-sulfonic acid

Structural Information

Molecular Formula
C7HClF14O4S
SMILES
C(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(F)(F)Cl)(F)F)(F)F
InChI
InChI=1S/C7HClF14O4S/c8-4(15,16)2(11,12)1(9,10)3(13,14)5(17,18)26-6(19,20)7(21,22)27(23,24)25/h(H,23,24,25)
InChIKey
XYRDZMSAYIMRTQ-UHFFFAOYSA-N
Compound name
2-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentoxy)-1,1,2,2-tetrafluoroethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.90604 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.91332 182.7
[M+Na]+ 504.89526 182.3
[M+NH4]+ 499.93986 181.7
[M+K]+ 520.86920 181.3
[M-H]- 480.89876 178.9
[M+Na-2H]- 502.88071 180.8
[M]+ 481.90549 181.5
[M]- 481.90659 181.5
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.