CID 18071970

4-(propylsulfamoyl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H12ClNO4S2
SMILES
CCCNS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C9H12ClNO4S2/c1-2-7-11-17(14,15)9-5-3-8(4-6-9)16(10,12)13/h3-6,11H,2,7H2,1H3
InChIKey
OCJMNPQFOAGECF-UHFFFAOYSA-N
Compound name
4-(propylsulfamoyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.98962 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.99690 160.8
[M+Na]+ 319.97884 169.4
[M-H]- 295.98234 164.6
[M+NH4]+ 315.02344 177.0
[M+K]+ 335.95278 163.4
[M+H-H2O]+ 279.98688 155.9
[M+HCOO]- 341.98782 169.2
[M+CH3COO]- 356.00347 195.2
[M+Na-2H]- 317.96429 165.0
[M]+ 296.98907 166.4
[M]- 296.99017 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.