CID 2795535

23145-16-6

Structural Information

Molecular Formula

SMILES

C1=CC2=C(C=C1Br)C=C(O2)C=O

InChI

InChI=1S/C9H5BrO2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-5H

InChIKey

UPEGFMDITWHVHV-UHFFFAOYSA-N

Compound name

5-bromo-1-benzofuran-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 51
Patents: 223.9473 Da
Monoisotopic Mass: 2.8
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]+	224.95458	137.4
[M+Na]+	246.93652	152.4
[M-H]-	222.94002	146.4
[M+NH4]+	241.98112	161.4
[M+K]+	262.91046	142.7
[M+H-H2O]+	206.94456	138.8
[M+HCOO]-	268.94550	161.3
[M+CH3COO]-	282.96115	184.3
[M+Na-2H]-	244.92197	147.4
[M]+	223.94675	160.2
[M]-	223.94785	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe