CID 1120506

4-bromo-n-(3,4-dimethoxyphenyl)benzenesulfonamide

Structural Information

Molecular Formula
C14H14BrNO4S
SMILES
COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)Br)OC
InChI
InChI=1S/C14H14BrNO4S/c1-19-13-8-5-11(9-14(13)20-2)16-21(17,18)12-6-3-10(15)4-7-12/h3-9,16H,1-2H3
InChIKey
HPVRTSMMPGQQHB-UHFFFAOYSA-N
Compound name
4-bromo-N-(3,4-dimethoxyphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

370.9827 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.98998 164.9
[M+Na]+ 393.97192 176.5
[M-H]- 369.97542 174.4
[M+NH4]+ 389.01652 181.3
[M+K]+ 409.94586 164.5
[M+H-H2O]+ 353.97996 163.3
[M+HCOO]- 415.98090 182.3
[M+CH3COO]- 429.99655 209.8
[M+Na-2H]- 391.95737 171.1
[M]+ 370.98215 188.5
[M]- 370.98325 188.5
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