CID 285330

N-(2-bromoethyl)methanesulfonamide

Structural Information

Molecular Formula

C₃H₈BrNO₂S

SMILES

CS(=O)(=O)NCCBr

InChI

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

InChIKey

BXVCFLARGCBLEP-UHFFFAOYSA-N

Compound name

N-(2-bromoethyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 191
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	124.5
[M+Na]+	223.93512	124.8
[M+NH4]+	218.97972	128.7
[M+K]+	239.90906	125.4
[M-H]-	199.93862	122.4
[M+Na-2H]-	221.92057	125.6
[M]+	200.94535	123.0
[M]-	200.94645	123.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe