CID 18807

Soneclosan

Structural Information

Molecular Formula

C₁₂H₈Cl₂O₂

SMILES

C1=CC(=CC=C1OC2=C(C=C(C=C2)Cl)O)Cl

InChI

InChI=1S/C12H8Cl2O2/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7,15H

InChIKey

BYNQFCJOHGOKSS-UHFFFAOYSA-N

Compound name

5-chloro-2-(4-chlorophenoxy)phenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 2314
Patents: 253.99013 Da
Monoisotopic Mass: 4.4
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]+	254.99741	148.3
[M+Na]+	276.97935	159.4
[M-H]-	252.98285	153.8
[M+NH4]+	272.02395	166.4
[M+K]+	292.95329	153.1
[M+H-H2O]+	236.98739	143.5
[M+HCOO]-	298.98833	162.7
[M+CH3COO]-	313.00398	189.3
[M+Na-2H]-	274.96480	153.8
[M]+	253.98958	152.4
[M]-	253.99068	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe