CID 5079696

4-chlorobenzeneseleninic acid

Structural Information

Molecular Formula

C₆H₅ClO₂Se

SMILES

C1=CC(=CC=C1Cl)[Se](=O)O

InChI

InChI=1S/C6H5ClO2Se/c7-5-1-3-6(4-2-5)10(8)9/h1-4H,(H,8,9)

InChIKey

FYOHPHMDSXOTEK-UHFFFAOYSA-N

Compound name

4-chlorobenzeneseleninic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 223.91434 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]+	224.92162	137.8
[M+Na]+	246.90356	146.9
[M-H]-	222.90706	140.2
[M+NH4]+	241.94816	158.5
[M+K]+	262.87750	143.2
[M+H-H2O]+	206.91160	133.3
[M+HCOO]-	268.91254	156.0
[M+CH3COO]-	282.92819	174.0
[M+Na-2H]-	244.88901	143.1
[M]+	223.91379	139.1
[M]-	223.91489	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe