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: 11
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]+	250.948436	133.0
[M+Na]+	272.930378	146.7
[M-H]-	248.933884	138.6
[M+NH4]+	267.974983	153.1
[M+K]+	288.904318	134.4
[M+H-H2O]+	232.938420	132.9
[M+HCOO]-	294.939361	149.4
[M+CH3COO]-	308.955011	188.1
[M+Na-2H]-	270.915826	140.0
[M]+	249.94061142	152.9
[M]-	249.94170858	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe