CID 9813921

2247107-00-0

Structural Information

Molecular Formula

C₇H₉BrN₂O₂S

SMILES

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

InChI

InChI=1S/C7H9BrN2O2S/c1-10-13(11,12)7-4-5(8)2-3-6(7)9/h2-4,10H,9H2,1H3

InChIKey

PLHUTOMHTULABV-UHFFFAOYSA-N

Compound name

2-amino-5-bromo-N-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 263.95682 Da
Monoisotopic Mass: 1.4
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]+	264.964096	138.0
[M+Na]+	286.946038	150.1
[M-H]-	262.949544	144.3
[M+NH4]+	281.990643	158.1
[M+K]+	302.919978	137.3
[M+H-H2O]+	246.954080	137.2
[M+HCOO]-	308.955021	155.8
[M+CH3COO]-	322.970671	193.2
[M+Na-2H]-	284.931486	144.6
[M]+	263.95627142	156.7
[M]-	263.95736858	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.