CID 42427

6-bromo-2h-chromene-3-carbaldehyde

Structural Information

Molecular Formula

C₁₀H₇BrO₂

SMILES

C1C(=CC2=C(O1)C=CC(=C2)Br)C=O

InChI

InChI=1S/C10H7BrO2/c11-9-1-2-10-8(4-9)3-7(5-12)6-13-10/h1-5H,6H2

InChIKey

UMACKWGLPRYSPV-UHFFFAOYSA-N

Compound name

6-bromo-2H-chromene-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 237.96294 Da
Monoisotopic Mass: 2.1
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]+	238.97022	138.5
[M+Na]+	260.95216	143.8
[M+NH4]+	255.99676	144.4
[M+K]+	276.92610	143.1
[M-H]-	236.95566	141.2
[M+Na-2H]-	258.93761	142.5
[M]+	237.96239	139.0
[M]-	237.96349	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe