CID 14383230

5-bromoisophthalaldehyde

Structural Information

Molecular Formula

SMILES

C1=C(C=C(C=C1C=O)Br)C=O

InChI

InChI=1S/C8H5BrO2/c9-8-2-6(4-10)1-7(3-8)5-11/h1-5H

InChIKey

QAQOLRCTTDVBAK-UHFFFAOYSA-N

Compound name

5-bromobenzene-1,3-dicarbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 127
Patents: 211.9473 Da
Monoisotopic Mass: 1.5
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]+	212.95458	133.4
[M+Na]+	234.93652	137.9
[M+NH4]+	229.98112	138.4
[M+K]+	250.91046	137.5
[M-H]-	210.94002	133.9
[M+Na-2H]-	232.92197	137.6
[M]+	211.94675	133.0
[M]-	211.94785	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe