CID 101215

4-bromo-n-methylbenzene-1-sulfonamide

Structural Information

Molecular Formula

C₇H₈BrNO₂S

SMILES

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

InChI

InChI=1S/C7H8BrNO2S/c1-9-12(10,11)7-4-2-6(8)3-5-7/h2-5,9H,1H3

InChIKey

ZAHMEHGOFNLRQN-UHFFFAOYSA-N

Compound name

4-bromo-N-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 409
Patents: 248.9459 Da
Monoisotopic Mass: 2.0
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]+	249.953176	134.3
[M+Na]+	271.935118	146.8
[M-H]-	247.938624	141.2
[M+NH4]+	266.979723	155.6
[M+K]+	287.909058	134.9
[M+H-H2O]+	231.943160	134.5
[M+HCOO]-	293.944101	152.2
[M+CH3COO]-	307.959751	188.0
[M+Na-2H]-	269.920566	142.3
[M]+	248.94535142	154.6
[M]-	248.94644858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe