CID 689088

263554-77-4

Structural Information

Molecular Formula

C₁₄H₁₀Cl₂O₂

SMILES

CC1=CC(=C(C=C1Cl)C(=O)C2=CC=CC=C2Cl)O

InChI

InChI=1S/C14H10Cl2O2/c1-8-6-13(17)10(7-12(8)16)14(18)9-4-2-3-5-11(9)15/h2-7,17H,1H3

InChIKey

CPVBZQZTHLHWLI-UHFFFAOYSA-N

Compound name

(5-chloro-2-hydroxy-4-methylphenyl)-(2-chlorophenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 280.0058 Da
Monoisotopic Mass: 5.1
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]+	281.013076	155.5
[M+Na]+	302.995018	166.6
[M-H]-	278.998524	161.2
[M+NH4]+	298.039623	172.7
[M+K]+	318.968958	159.9
[M+H-H2O]+	263.003060	150.8
[M+HCOO]-	325.004001	168.5
[M+CH3COO]-	339.019651	196.5
[M+Na-2H]-	300.980466	158.1
[M]+	280.00525142	159.5
[M]-	280.00634858	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe