CID 3018867

79792-96-4

Structural Information

Molecular Formula
C9H13NO4S2
SMILES
CCCS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N
InChI
InChI=1S/C9H13NO4S2/c1-2-7-15(11,12)8-5-3-4-6-9(8)16(10,13)14/h3-6H,2,7H2,1H3,(H2,10,13,14)
InChIKey
IVWZZQBPALNKLG-UHFFFAOYSA-N
Compound name
2-propylsulfonylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

263.0286 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.035876 155.8
[M+Na]+ 286.017818 163.9
[M-H]- 262.021324 158.6
[M+NH4]+ 281.062423 172.1
[M+K]+ 301.991758 158.9
[M+H-H2O]+ 246.025860 149.7
[M+HCOO]- 308.026801 167.9
[M+CH3COO]- 322.042451 191.0
[M+Na-2H]- 284.003266 159.2
[M]+ 263.02805142 158.6
[M]- 263.02914858 158.6
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

patents stripe