CID 3373226

1,8-dichloro-9-methoxy-anthracene

Structural Information

Molecular Formula

C₁₅H₁₀Cl₂O

SMILES

COC1=C2C(=CC3=C1C(=CC=C3)Cl)C=CC=C2Cl

InChI

InChI=1S/C15H10Cl2O/c1-18-15-13-9(4-2-6-11(13)16)8-10-5-3-7-12(17)14(10)15/h2-8H,1H3

InChIKey

OQELMUBMCWLRCL-UHFFFAOYSA-N

Compound name

1,8-dichloro-9-methoxyanthracene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 276.01086 Da
Monoisotopic Mass: 5.4
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]+	277.01814	155.0
[M+Na]+	299.00008	168.5
[M-H]-	275.00358	160.6
[M+NH4]+	294.04468	175.4
[M+K]+	314.97402	161.3
[M+H-H2O]+	259.00812	149.9
[M+HCOO]-	321.00906	169.1
[M+CH3COO]-	335.02471	168.7
[M+Na-2H]-	296.98553	163.0
[M]+	276.01031	162.4
[M]-	276.01141	162.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.