CID 1591515

N-allyl-2-bromobenzamide

Structural Information

Molecular Formula

C₁₀H₁₀BrNO

SMILES

C=CCNC(=O)C1=CC=CC=C1Br

InChI

InChI=1S/C10H10BrNO/c1-2-7-12-10(13)8-5-3-4-6-9(8)11/h2-6H,1,7H2,(H,12,13)

InChIKey

VPPCKVGSJHMNDS-UHFFFAOYSA-N

Compound name

2-bromo-N-prop-2-enylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 238.99458 Da
Monoisotopic Mass: 1.6
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]+	240.001856	143.9
[M+Na]+	261.983798	154.4
[M-H]-	237.987304	150.1
[M+NH4]+	257.028403	164.9
[M+K]+	277.957738	142.6
[M+H-H2O]+	221.991840	143.4
[M+HCOO]-	283.992781	166.1
[M+CH3COO]-	298.008431	190.7
[M+Na-2H]-	259.969246	150.8
[M]+	238.99403142	161.6
[M]-	238.99512858	161.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.