CID 13321748

5-bromo-2-hydroxybenzenesulfonamide

Structural Information

Molecular Formula
C6H6BrNO3S
SMILES
C1=CC(=C(C=C1Br)S(=O)(=O)N)O
InChI
InChI=1S/C6H6BrNO3S/c7-4-1-2-5(9)6(3-4)12(8,10)11/h1-3,9H,(H2,8,10,11)
InChIKey
MAAWQJRCQVMKJP-UHFFFAOYSA-N
Compound name
5-bromo-2-hydroxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

250.92519 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.93247 133.6
[M+Na]+ 273.91441 146.5
[M-H]- 249.91791 139.0
[M+NH4]+ 268.95901 153.9
[M+K]+ 289.88835 133.9
[M+H-H2O]+ 233.92245 133.9
[M+HCOO]- 295.92339 149.8
[M+CH3COO]- 309.93904 185.3
[M+Na-2H]- 271.89986 140.1
[M]+ 250.92464 152.5
[M]- 250.92574 152.5
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