CID 20117133

3-fluoro-4-(propane-1-sulfonamido)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H11ClFNO4S2
SMILES
CCCS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)Cl)F
InChI
InChI=1S/C9H11ClFNO4S2/c1-2-5-17(13,14)12-9-4-3-7(6-8(9)11)18(10,15)16/h3-4,6,12H,2,5H2,1H3
InChIKey
PDAYRUGUBIZLGM-UHFFFAOYSA-N
Compound name
3-fluoro-4-(propylsulfonylamino)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.9802 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.987476 161.5
[M+Na]+ 337.969418 170.7
[M-H]- 313.972924 164.1
[M+NH4]+ 333.014023 177.1
[M+K]+ 353.943358 164.4
[M+H-H2O]+ 297.977460 155.7
[M+HCOO]- 359.978401 168.8
[M+CH3COO]- 373.994051 199.0
[M+Na-2H]- 335.954866 164.7
[M]+ 314.97965142 166.4
[M]- 314.98074858 166.4
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.