CID 262944

2-bromo-n-methylsulfonylacetamide

Structural Information

Molecular Formula

C₃H₆BrNO₃S

SMILES

CS(=O)(=O)NC(=O)CBr

InChI

InChI=1S/C3H6BrNO3S/c1-9(7,8)5-3(6)2-4/h2H2,1H3,(H,5,6)

InChIKey

XHHLSUHCWZXRQI-UHFFFAOYSA-N

Compound name

2-bromo-N-methylsulfonylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 136
Patents: 214.92519 Da
Monoisotopic Mass: -0.1
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]+	215.93247	125.9
[M+Na]+	237.91441	137.8
[M-H]-	213.91791	129.6
[M+NH4]+	232.95901	148.1
[M+K]+	253.88835	127.0
[M+H-H2O]+	197.92245	126.2
[M+HCOO]-	259.92339	142.6
[M+CH3COO]-	273.93904	181.2
[M+Na-2H]-	235.89986	132.7
[M]+	214.92464	146.4
[M]-	214.92574	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe