CID 139596628

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

Structural Information

Molecular Formula
C7H8F9NO5S2
SMILES
C(CNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CS(=O)(=O)O
InChI
InChI=1S/C7H8F9NO5S2/c8-4(9,6(12,13)14)5(10,11)7(15,16)24(21,22)17-2-1-3-23(18,19)20/h17H,1-3H2,(H,18,19,20)
InChIKey
PNGHFDKTDSVOEV-UHFFFAOYSA-N
Compound name
3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

420.97003 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.97731 172.1
[M+Na]+ 443.95925 177.9
[M-H]- 419.96275 158.9
[M+NH4]+ 439.00385 162.5
[M+K]+ 459.93319 173.3
[M+H-H2O]+ 403.96729 159.8
[M+HCOO]- 465.96823 177.1
[M+CH3COO]- 479.98388 214.8
[M+Na-2H]- 441.94470 176.9
[M]+ 420.96948 162.1
[M]- 420.97058 162.1
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.