CID 14914484

27318-06-5

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1/C=C/C(=O)N)Br

InChI

InChI=1S/C9H8BrNO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H2,11,12)/b6-3+

InChIKey

PFAWHKGYPQXDSK-ZZXKWVIFSA-N

Compound name

(E)-3-(4-bromophenyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 224.97893 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]+	225.98621	139.5
[M+Na]+	247.96815	142.1
[M+NH4]+	243.01275	144.0
[M+K]+	263.94209	142.1
[M-H]-	223.97165	140.2
[M+Na-2H]-	245.95360	142.9
[M]+	224.97838	138.7
[M]-	224.97948	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe