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]+ 315.98748 161.5
[M+Na]+ 337.96942 170.7
[M-H]- 313.97292 164.1
[M+NH4]+ 333.01402 177.1
[M+K]+ 353.94336 164.4
[M+H-H2O]+ 297.97746 155.7
[M+HCOO]- 359.97840 168.8
[M+CH3COO]- 373.99405 199.0
[M+Na-2H]- 335.95487 164.7
[M]+ 314.97965 166.4
[M]- 314.98075 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.