CID 2801263

2-bromobenzenesulfonamide

Structural Information

Molecular Formula

C₆H₆BrNO₂S

SMILES

C1=CC=C(C(=C1)S(=O)(=O)N)Br

InChI

InChI=1S/C6H6BrNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)

InChIKey

YSFGGXNLZUSHHS-UHFFFAOYSA-N

Compound name

2-bromobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 792
Patents: 234.93027 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	235.937546	130.7
[M+Na]+	257.919488	143.6
[M-H]-	233.922994	137.2
[M+NH4]+	252.964093	152.3
[M+K]+	273.893428	131.5
[M+H-H2O]+	217.927530	131.0
[M+HCOO]-	279.928471	148.3
[M+CH3COO]-	293.944121	184.5
[M+Na-2H]-	255.904936	138.1
[M]+	234.92972142	149.7
[M]-	234.93081858	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe