CID 297494

Methanesulfonamide, n-(2-bromoallyl)-

Structural Information

Molecular Formula

C₄H₈BrNO₂S

SMILES

CS(=O)(=O)NCC(=C)Br

InChI

InChI=1S/C4H8BrNO2S/c1-4(5)3-6-9(2,7)8/h6H,1,3H2,2H3

InChIKey

DJALIWHBNKIYSN-UHFFFAOYSA-N

Compound name

N-(2-bromoprop-2-enyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 212.9459 Da
Monoisotopic Mass: 0.5
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]+	213.95318	127.6
[M+Na]+	235.93512	139.2
[M-H]-	211.93862	131.1
[M+NH4]+	230.97972	149.9
[M+K]+	251.90906	127.7
[M+H-H2O]+	195.94316	128.0
[M+HCOO]-	257.94410	143.8
[M+CH3COO]-	271.95975	182.7
[M+Na-2H]-	233.92057	133.8
[M]+	212.94535	147.2
[M]-	212.94645	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.