CID 59676

N-(2-bromoallyl)benzamide

Structural Information

Molecular Formula

C₁₀H₁₀BrNO

SMILES

C=C(CC1=CC=CC=C1C(=O)N)Br

InChI

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

InChIKey

LWJVHFGBFOFRTL-UHFFFAOYSA-N

Compound name

2-(2-bromoprop-2-enyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 238.99458 Da
Monoisotopic Mass: 1.9
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	145.4
[M+Na]+	261.983798	155.4
[M-H]-	237.987304	151.0
[M+NH4]+	257.028403	165.8
[M+K]+	277.957738	143.7
[M+H-H2O]+	221.991840	144.8
[M+HCOO]-	283.992781	165.9
[M+CH3COO]-	298.008431	191.5
[M+Na-2H]-	259.969246	149.9
[M]+	238.99403142	161.5
[M]-	238.99512858	161.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe