CID 103961

N-(3,5-dibromo-4-hydroxyphenyl)benzenesulfonamide

Structural Information

Molecular Formula
C12H9Br2NO3S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C(=C2)Br)O)Br
InChI
InChI=1S/C12H9Br2NO3S/c13-10-6-8(7-11(14)12(10)16)15-19(17,18)9-4-2-1-3-5-9/h1-7,15-16H
InChIKey
GQORONPQIJQFDJ-UHFFFAOYSA-N
Compound name
N-(3,5-dibromo-4-hydroxyphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

174
Patents

404.867 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.87428 150.0
[M+Na]+ 427.85622 160.8
[M-H]- 403.85972 158.4
[M+NH4]+ 422.90082 165.4
[M+K]+ 443.83016 143.8
[M+H-H2O]+ 387.86426 157.3
[M+HCOO]- 449.86520 162.0
[M+CH3COO]- 463.88085 214.5
[M+Na-2H]- 425.84167 156.8
[M]+ 404.86645 185.0
[M]- 404.86755 185.0
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