CID 84670420

2-bromo-n-methylethane-1-sulfonamide

Structural Information

Molecular Formula

C₃H₈BrNO₂S

SMILES

CNS(=O)(=O)CCBr

InChI

InChI=1S/C3H8BrNO2S/c1-5-8(6,7)3-2-4/h5H,2-3H2,1H3

InChIKey

AEHJCKTYLDYJIK-UHFFFAOYSA-N

Compound name

2-bromo-N-methylethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 200.9459 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]+	201.95318	124.1
[M+Na]+	223.93512	136.1
[M-H]-	199.93862	127.7
[M+NH4]+	218.97972	147.1
[M+K]+	239.90906	125.0
[M+H-H2O]+	183.94316	124.6
[M+HCOO]-	245.94410	141.4
[M+CH3COO]-	259.95975	180.1
[M+Na-2H]-	221.92057	131.8
[M]+	200.94535	144.6
[M]-	200.94645	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe