CID 710723

4-bromo-n-(2-methoxyphenyl)benzenesulfonamide

Structural Information

Molecular Formula
C13H12BrNO3S
SMILES
COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C13H12BrNO3S/c1-18-13-5-3-2-4-12(13)15-19(16,17)11-8-6-10(14)7-9-11/h2-9,15H,1H3
InChIKey
WZNBBKMKBQJNKL-UHFFFAOYSA-N
Compound name
4-bromo-N-(2-methoxyphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

340.97214 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.97942 158.0
[M+Na]+ 363.96136 169.7
[M-H]- 339.96486 167.6
[M+NH4]+ 359.00596 175.5
[M+K]+ 379.93530 157.2
[M+H-H2O]+ 323.96940 157.0
[M+HCOO]- 385.97034 175.7
[M+CH3COO]- 399.98599 203.9
[M+Na-2H]- 361.94681 165.2
[M]+ 340.97159 179.7
[M]- 340.97269 179.7
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