CID 122392557

2-(10-chloro-perfluorodecoxy)-perfluoroethanesulfonic acid

Structural Information

Molecular Formula
C12HClF24O4S
SMILES
C(C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12HClF24O4S/c13-9(30,31)7(26,27)5(22,23)3(18,19)1(14,15)2(16,17)4(20,21)6(24,25)8(28,29)10(32,33)41-11(34,35)12(36,37)42(38,39)40/h(H,38,39,40)
InChIKey
LSKXVJXKXSXRPS-UHFFFAOYSA-N
Compound name
2-(10-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecoxy)-1,1,2,2-tetrafluoroethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

731.8901 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 732.89738 152.6
[M+Na]+ 754.87932 152.6
[M+NH4]+ 749.92392 152.6
[M+K]+ 770.85326 152.6
[M-H]- 730.88282 152.6
[M+Na-2H]- 752.86477 152.6
[M]+ 731.88955 152.6
[M]- 731.89065 152.6
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.