CID 72232929

4-bromo-2-cyclopropoxybenzaldehyde

Structural Information

Molecular Formula

C₁₀H₉BrO₂

SMILES

C1CC1OC2=C(C=CC(=C2)Br)C=O

InChI

InChI=1S/C10H9BrO2/c11-8-2-1-7(6-12)10(5-8)13-9-3-4-9/h1-2,5-6,9H,3-4H2

InChIKey

MRAPLINWVOFLEE-UHFFFAOYSA-N

Compound name

4-bromo-2-cyclopropyloxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 239.97859 Da
Monoisotopic Mass: 2.6
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]+	240.985866	142.9
[M+Na]+	262.967808	156.8
[M-H]-	238.971314	153.3
[M+NH4]+	258.012413	160.0
[M+K]+	278.941748	145.6
[M+H-H2O]+	222.975850	142.4
[M+HCOO]-	284.976791	165.7
[M+CH3COO]-	298.992441	191.4
[M+Na-2H]-	260.953256	150.5
[M]+	239.97804142	164.7
[M]-	239.97913858	164.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe