CID 46738953

5-bromo-n-ethylpyridine-3-sulfonamide

Structural Information

Molecular Formula

C₇H₉BrN₂O₂S

SMILES

CCNS(=O)(=O)C1=CC(=CN=C1)Br

InChI

InChI=1S/C7H9BrN2O2S/c1-2-10-13(11,12)7-3-6(8)4-9-5-7/h3-5,10H,2H2,1H3

InChIKey

ILGAHUKGIGEEMU-UHFFFAOYSA-N

Compound name

5-bromo-N-ethylpyridine-3-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 263.95682 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]+	264.964096	137.0
[M+Na]+	286.946038	149.5
[M-H]-	262.949544	142.6
[M+NH4]+	281.990643	156.5
[M+K]+	302.919978	137.4
[M+H-H2O]+	246.954080	136.6
[M+HCOO]-	308.955021	153.8
[M+CH3COO]-	322.970671	190.4
[M+Na-2H]-	284.931486	145.2
[M]+	263.95627142	157.8
[M]-	263.95736858	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe