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	141.0
[M+Na]+	260.95216	153.3
[M-H]-	236.95566	149.0
[M+NH4]+	255.99676	162.3
[M+K]+	276.92610	143.7
[M+H-H2O]+	220.96020	141.5
[M+HCOO]-	282.96114	161.0
[M+CH3COO]-	296.97679	187.7
[M+Na-2H]-	258.93761	151.0
[M]+	237.96239	160.7
[M]-	237.96349	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe