CID 560670

26526-47-6

Structural Information

Molecular Formula

C₉H₅BrO₂Se

SMILES

C1=CC=C2C(=C1)C(=C([Se]2)C(=O)O)Br

InChI

InChI=1S/C9H5BrO2Se/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,(H,11,12)

InChIKey

LUEVDHFTBMMMHQ-UHFFFAOYSA-N

Compound name

3-bromo-1-benzoselenophene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 303.8638 Da
Monoisotopic Mass: None
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]+	304.87108	155.4
[M+Na]+	326.85302	168.4
[M-H]-	302.85652	161.7
[M+NH4]+	321.89762	178.4
[M+K]+	342.82696	156.8
[M+H-H2O]+	286.86106	155.8
[M+HCOO]-	348.86200	176.5
[M+CH3COO]-	362.87765	187.7
[M+Na-2H]-	324.83847	161.0
[M]+	303.86325	175.4
[M]-	303.86435	175.4

Literature stripe

literature stripe

Patent stripe

patents stripe