CID 121255

4-bromo-n-hydroxybenzenesulfonamide

Structural Information

Molecular Formula
C6H6BrNO3S
SMILES
C1=CC(=CC=C1S(=O)(=O)NO)Br
InChI
InChI=1S/C6H6BrNO3S/c7-5-1-3-6(4-2-5)12(10,11)8-9/h1-4,8-9H
InChIKey
PORUPJYSNWMWCH-UHFFFAOYSA-N
Compound name
4-bromo-N-hydroxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

33
Patents

250.92519 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.93247 133.2
[M+Na]+ 273.91441 145.4
[M-H]- 249.91791 138.8
[M+NH4]+ 268.95901 153.6
[M+K]+ 289.88835 133.2
[M+H-H2O]+ 233.92245 133.5
[M+HCOO]- 295.92339 150.1
[M+CH3COO]- 309.93904 184.7
[M+Na-2H]- 271.89986 141.4
[M]+ 250.92464 152.7
[M]- 250.92574 152.7
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