CID 21846044

1-bromo-n-methylmethanesulfonamide

Structural Information

Molecular Formula

C₂H₆BrNO₂S

SMILES

CNS(=O)(=O)CBr

InChI

InChI=1S/C2H6BrNO2S/c1-4-7(5,6)2-3/h4H,2H2,1H3

InChIKey

PCNXPHMCSOGYBN-UHFFFAOYSA-N

Compound name

1-bromo-N-methylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 186.93027 Da
Monoisotopic Mass: 0.2
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]+	187.93755	119.6
[M+Na]+	209.91949	132.1
[M-H]-	185.92299	123.5
[M+NH4]+	204.96409	143.1
[M+K]+	225.89343	121.2
[M+H-H2O]+	169.92753	120.3
[M+HCOO]-	231.92847	137.2
[M+CH3COO]-	245.94412	177.2
[M+Na-2H]-	207.90494	127.8
[M]+	186.92972	139.8
[M]-	186.93082	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe