CID 59097633

4-(4-bromophenyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C12H10BrNO2S
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)Br)S(=O)(=O)N
InChI
InChI=1S/C12H10BrNO2S/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16/h1-8H,(H2,14,15,16)
InChIKey
MPOYZWHWJKUBCW-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

310.96155 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.96883 151.6
[M+Na]+ 333.95077 163.9
[M-H]- 309.95427 160.9
[M+NH4]+ 328.99537 170.1
[M+K]+ 349.92471 150.7
[M+H-H2O]+ 293.95881 151.0
[M+HCOO]- 355.95975 168.8
[M+CH3COO]- 369.97540 198.6
[M+Na-2H]- 331.93622 158.1
[M]+ 310.96100 170.8
[M]- 310.96210 170.8
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