CID 139595508

3-[[(perfluoropropyl)sulfonyl]amino]propanesulfonic acid

Structural Information

Molecular Formula
C6H8F7NO5S2
SMILES
C(CNS(=O)(=O)C(C(C(F)(F)F)(F)F)(F)F)CS(=O)(=O)O
InChI
InChI=1S/C6H8F7NO5S2/c7-4(8,5(9,10)11)6(12,13)21(18,19)14-2-1-3-20(15,16)17/h14H,1-3H2,(H,15,16,17)
InChIKey
IXWMYPLKYQPDCA-UHFFFAOYSA-N
Compound name
3-(1,1,2,2,3,3,3-heptafluoropropylsulfonylamino)propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

370.9732 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.98048 164.0
[M+Na]+ 393.96242 170.1
[M-H]- 369.96592 153.1
[M+NH4]+ 389.00702 174.2
[M+K]+ 409.93636 165.6
[M+H-H2O]+ 353.97046 153.1
[M+HCOO]- 415.97140 163.2
[M+CH3COO]- 429.98705 205.8
[M+Na-2H]- 391.94787 168.5
[M]+ 370.97265 157.1
[M]- 370.97375 157.1
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.