CID 139594895

Perfluorooctane sulfonamido betaine disulfonate

Structural Information

Molecular Formula
C19H26F17N2O8S3
SMILES
C[N+](C)(CCCN(CCCS(=O)(=O)O)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCS(=O)(=O)O
InChI
InChI=1S/C19H25F17N2O8S3/c1-38(2,9-5-11-48(42,43)44)8-3-6-37(7-4-10-47(39,40)41)49(45,46)19(35,36)17(30,31)15(26,27)13(22,23)12(20,21)14(24,25)16(28,29)18(32,33)34/h3-11H2,1-2H3,(H-,39,40,41,42,43,44)/p+1
InChIKey
FHWPTNWVEZCJTE-UHFFFAOYSA-O
Compound name
3-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(3-sulfopropyl)amino]propyl-dimethyl-(3-sulfopropyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

829.058 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 830.06528 155.9
[M+Na]+ 852.04722 156.0
[M+NH4]+ 847.09182 156.1
[M+K]+ 868.02116 156.1
[M-H]- 828.05072 155.9
[M+Na-2H]- 850.03267 155.7
[M]+ 829.05745 156.0
[M]- 829.05855 156.0
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.