CID 12452495

54734-81-5

Structural Information

Molecular Formula

C₆H₇BrN₂O₂S

SMILES

C1=CC(=C(C=C1Br)N)S(=O)(=O)N

InChI

InChI=1S/C6H7BrN2O2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,8H2,(H2,9,10,11)

InChIKey

TUHHVUXXOPCMLZ-UHFFFAOYSA-N

Compound name

2-amino-4-bromobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 249.94116 Da
Monoisotopic Mass: 0.9
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]+	250.94844	134.3
[M+Na]+	272.93038	146.8
[M-H]-	248.93388	140.2
[M+NH4]+	267.97498	154.7
[M+K]+	288.90432	133.8
[M+H-H2O]+	232.93842	133.6
[M+HCOO]-	294.93936	151.9
[M+CH3COO]-	308.95501	189.8
[M+Na-2H]-	270.91583	140.4
[M]+	249.94061	151.7
[M]-	249.94171	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe