CID 59583

N-(2-bromoallyl)-2-bromoacetamide

Structural Information

Molecular Formula

C₅H₇Br₂NO

SMILES

C=C(CNC(=O)CBr)Br

InChI

InChI=1S/C5H7Br2NO/c1-4(7)3-8-5(9)2-6/h1-3H2,(H,8,9)

InChIKey

DBDWCAOPFYAKDV-UHFFFAOYSA-N

Compound name

2-bromo-N-(2-bromoprop-2-enyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 254.88943 Da
Monoisotopic Mass: 1.5
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]+	255.89671	135.0
[M+Na]+	277.87865	144.6
[M-H]-	253.88215	138.9
[M+NH4]+	272.92325	154.8
[M+K]+	293.85259	128.7
[M+H-H2O]+	237.88669	141.9
[M+HCOO]-	299.88763	150.6
[M+CH3COO]-	313.90328	199.0
[M+Na-2H]-	275.86410	141.0
[M]+	254.88888	167.2
[M]-	254.88998	167.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.