CID 12528493

71254-69-8

Structural Information

Molecular Formula

C₆H₇BrN₂O₂S

SMILES

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

InChI

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

InChIKey

DEPALZAXAXCTLH-UHFFFAOYSA-N

Compound name

2-amino-6-bromobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 249.94116 Da
Monoisotopic Mass: 1.0
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]+	250.948436	134.3
[M+Na]+	272.930378	146.8
[M-H]-	248.933884	140.2
[M+NH4]+	267.974983	154.7
[M+K]+	288.904318	133.8
[M+H-H2O]+	232.938420	133.6
[M+HCOO]-	294.939361	151.9
[M+CH3COO]-	308.955011	189.8
[M+Na-2H]-	270.915826	140.4
[M]+	249.94061142	151.7
[M]-	249.94170858	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe