CID 56773886

2-bromo-6-methanesulfonylpyridin-3-amine

Structural Information

Molecular Formula

C₆H₇BrN₂O₂S

SMILES

CS(=O)(=O)C1=NC(=C(C=C1)N)Br

InChI

InChI=1S/C6H7BrN2O2S/c1-12(10,11)5-3-2-4(8)6(7)9-5/h2-3H,8H2,1H3

InChIKey

UFWKPDJZNWPTPW-UHFFFAOYSA-N

Compound name

2-bromo-6-methylsulfonylpyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 249.94116 Da
Monoisotopic Mass: 0.8
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	132.9
[M+Na]+	272.93038	135.3
[M+NH4]+	267.97498	136.9
[M+K]+	288.90432	135.9
[M-H]-	248.93388	132.4
[M+Na-2H]-	270.91583	136.1
[M]+	249.94061	132.2
[M]-	249.94171	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe