CID 61390869

1106304-56-6

Structural Information

Molecular Formula

C₁₀H₉BrO₂

SMILES

C=CCOC1=C(C=CC=C1Br)C=O

InChI

InChI=1S/C10H9BrO2/c1-2-6-13-10-8(7-12)4-3-5-9(10)11/h2-5,7H,1,6H2

InChIKey

NCXUZGJWKOHRDP-UHFFFAOYSA-N

Compound name

3-bromo-2-prop-2-enoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 239.97859 Da
Monoisotopic Mass: 2.7
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]+	240.985866	140.9
[M+Na]+	262.967808	153.3
[M-H]-	238.971314	147.5
[M+NH4]+	258.012413	162.5
[M+K]+	278.941748	142.0
[M+H-H2O]+	222.975850	141.1
[M+HCOO]-	284.976791	163.3
[M+CH3COO]-	298.992441	189.0
[M+Na-2H]-	260.953256	148.3
[M]+	239.97804142	161.8
[M]-	239.97913858	161.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.