CID 202804

Dichlorsalol

Structural Information

Molecular Formula

C₁₃H₈Cl₂O₃

SMILES

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

InChI

InChI=1S/C13H8Cl2O3/c14-8-6-10(12(16)11(15)7-8)13(17)18-9-4-2-1-3-5-9/h1-7,16H

InChIKey

PLIHAXTUDAJMFQ-UHFFFAOYSA-N

Compound name

phenyl 3,5-dichloro-2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 281.98505 Da
Monoisotopic Mass: 4.8
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]+	282.99233	154.3
[M+Na]+	304.97427	164.9
[M-H]-	280.97777	159.9
[M+NH4]+	300.01887	171.2
[M+K]+	320.94821	159.0
[M+H-H2O]+	264.98231	149.4
[M+HCOO]-	326.98325	167.9
[M+CH3COO]-	340.99890	193.7
[M+Na-2H]-	302.95972	158.2
[M]+	281.98450	158.9
[M]-	281.98560	158.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe