CID 522515

7396-92-1

Structural Information

Molecular Formula

C₁₃H₈Cl₂O₂

SMILES

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

InChI

InChI=1S/C13H8Cl2O2/c14-9-6-10(13(17)11(15)7-9)12(16)8-4-2-1-3-5-8/h1-7,17H

InChIKey

KQEKLTCGLCEOFY-UHFFFAOYSA-N

Compound name

(3,5-dichloro-2-hydroxyphenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 17
Patents: 265.99014 Da
Monoisotopic Mass: 4.7
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]+	266.99742	151.4
[M+Na]+	288.97936	162.0
[M-H]-	264.98286	156.9
[M+NH4]+	284.02396	168.9
[M+K]+	304.95330	155.5
[M+H-H2O]+	248.98740	146.7
[M+HCOO]-	310.98834	164.7
[M+CH3COO]-	325.00399	192.3
[M+Na-2H]-	286.96481	155.2
[M]+	265.98959	154.6
[M]-	265.99069	154.6

Literature stripe

literature stripe

Patent stripe

patents stripe