CID 139595799

3-[(perfluoropentanesulfonyl)amino]propane-1-sulfonic acid

Structural Information

Molecular Formula
C8H8F11NO5S2
SMILES
C(CNS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CS(=O)(=O)O
InChI
InChI=1S/C8H8F11NO5S2/c9-4(10,5(11,12)7(15,16)17)6(13,14)8(18,19)27(24,25)20-2-1-3-26(21,22)23/h20H,1-3H2,(H,21,22,23)
InChIKey
KPWCWLRLXJLHTE-UHFFFAOYSA-N
Compound name
3-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

470.96683 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.97411 180.6
[M+Na]+ 493.95605 165.5
[M-H]- 469.95955 166.8
[M+NH4]+ 489.00065 168.9
[M+K]+ 509.92999 181.4
[M+H-H2O]+ 453.96409 166.8
[M+HCOO]- 515.96503 181.8
[M+CH3COO]- 529.98068 223.5
[M+Na-2H]- 491.94150 185.7
[M]+ 470.96628 164.7
[M]- 470.96738 164.7
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.