CID 99771087

1261521-33-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.91534 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.92262 138.5
[M+Na]+ 302.90456 150.1
[M-H]- 278.90806 145.0
[M+NH4]+ 297.94916 157.2
[M+K]+ 318.87850 134.1
[M+H-H2O]+ 262.91260 141.9
[M+HCOO]- 324.91354 156.8
[M+CH3COO]- 338.92919 186.4
[M+Na-2H]- 300.89001 147.1
[M]+ 279.91479 156.5
[M]- 279.91589 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

No patent data available for this compound.