CID 82054

7566-41-8

Structural Information

Molecular Formula
C12H12N2O5S2
SMILES
C1=CC(=CC=C1OC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)N
InChI
InChI=1S/C12H12N2O5S2/c13-20(15,16)11-5-1-9(2-6-11)19-10-3-7-12(8-4-10)21(14,17)18/h1-8H,(H2,13,15,16)(H2,14,17,18)
InChIKey
OODSXPZTBWKLTE-UHFFFAOYSA-N
Compound name
4-(4-sulfamoylphenoxy)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

90
Patents

328.01877 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.026046 170.7
[M+Na]+ 351.007988 178.5
[M-H]- 327.011494 176.0
[M+NH4]+ 346.052593 183.3
[M+K]+ 366.981928 172.7
[M+H-H2O]+ 311.016030 163.1
[M+HCOO]- 373.016971 183.9
[M+CH3COO]- 387.032621 204.0
[M+Na-2H]- 348.993436 175.4
[M]+ 328.01822142 172.1
[M]- 328.01931858 172.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe