CID 522924

4-bromo-2-nitrobenzenesulfonamide

Structural Information

Molecular Formula
C6H5BrN2O4S
SMILES
C1=CC(=C(C=C1Br)[N+](=O)[O-])S(=O)(=O)N
InChI
InChI=1S/C6H5BrN2O4S/c7-4-1-2-6(14(8,12)13)5(3-4)9(10)11/h1-3H,(H2,8,12,13)
InChIKey
RLOBLCKPLSPZIT-UHFFFAOYSA-N
Compound name
4-bromo-2-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

279.91534 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.922616 138.5
[M+Na]+ 302.904558 150.1
[M-H]- 278.908064 145.0
[M+NH4]+ 297.949163 157.2
[M+K]+ 318.878498 134.1
[M+H-H2O]+ 262.912600 141.9
[M+HCOO]- 324.913541 156.8
[M+CH3COO]- 338.929191 186.4
[M+Na-2H]- 300.890006 147.1
[M]+ 279.91479142 156.5
[M]- 279.91588858 156.5
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