CID 3084733

4-amino-3,5-dibromobenzenesulfonamide

Structural Information

Molecular Formula
C6H6Br2N2O2S
SMILES
C1=C(C=C(C(=C1Br)N)Br)S(=O)(=O)N
InChI
InChI=1S/C6H6Br2N2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)
InChIKey
DLXJPWSYRLLYSV-UHFFFAOYSA-N
Compound name
4-amino-3,5-dibromobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

36
Patents

327.85168 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.858956 133.6
[M+Na]+ 350.840898 145.4
[M-H]- 326.844404 139.9
[M+NH4]+ 345.885503 151.3
[M+K]+ 366.814838 127.4
[M+H-H2O]+ 310.848940 139.8
[M+HCOO]- 372.849881 146.2
[M+CH3COO]- 386.865531 207.2
[M+Na-2H]- 348.826346 139.4
[M]+ 327.85113142 166.4
[M]- 327.85222858 166.4
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

patents stripe