CID 252550

Nsc74604

Structural Information

Molecular Formula
C12H11Br2N3O2S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NC2=CC(=C(C(=C2)Br)N)Br
InChI
InChI=1S/C12H11Br2N3O2S/c13-10-5-8(6-11(14)12(10)16)17-20(18,19)9-3-1-7(15)2-4-9/h1-6,17H,15-16H2
InChIKey
AQWPYFPOMGQZKF-UHFFFAOYSA-N
Compound name
4-amino-N-(4-amino-3,5-dibromophenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

418.89386 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.90114 155.3
[M+Na]+ 441.88308 165.1
[M-H]- 417.88658 163.4
[M+NH4]+ 436.92768 169.5
[M+K]+ 457.85702 146.7
[M+H-H2O]+ 401.89112 160.0
[M+HCOO]- 463.89206 168.1
[M+CH3COO]- 477.90771 222.6
[M+Na-2H]- 439.86853 160.5
[M]+ 418.89331 187.5
[M]- 418.89441 187.5
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

No patent data available for this compound.