CID 66820436

1256957-75-1

Structural Information

Molecular Formula

C₆H₇BrN₂O₂S

SMILES

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

InChI

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

InChIKey

RTFLWLRVBQGAPQ-UHFFFAOYSA-N

Compound name

5-bromo-3-methylsulfonylpyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 249.94116 Da
Monoisotopic Mass: 1.0
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]+	250.94844	133.0
[M+Na]+	272.93038	146.7
[M-H]-	248.93388	138.6
[M+NH4]+	267.97498	153.1
[M+K]+	288.90432	134.4
[M+H-H2O]+	232.93842	132.9
[M+HCOO]-	294.93936	149.4
[M+CH3COO]-	308.95501	188.1
[M+Na-2H]-	270.91583	140.0
[M]+	249.94061	152.9
[M]-	249.94171	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe