CID 342396

84989-99-1

Structural Information

Molecular Formula

C₂₀H₁₃Cl₂NO₄

SMILES

COC1=CC=C(C=C1)N=CC2=C(C=CC3=C2OC4=CC(=C(C(=C34)Cl)O)Cl)O

InChI

InChI=1S/C20H13Cl2NO4/c1-26-11-4-2-10(3-5-11)23-9-13-15(24)7-6-12-17-16(27-20(12)13)8-14(21)19(25)18(17)22/h2-9,24-25H,1H3

InChIKey

UWXKHLVNEQUSFY-UHFFFAOYSA-N

Compound name

1,3-dichloro-6-[(4-methoxyphenyl)iminomethyl]dibenzofuran-2,7-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 229
Patents: 401.02216 Da
Monoisotopic Mass: 4.9
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]+	402.02944	191.1
[M+Na]+	424.01138	204.7
[M-H]-	400.01488	200.1
[M+NH4]+	419.05598	206.1
[M+K]+	439.98532	198.4
[M+H-H2O]+	384.01942	185.2
[M+HCOO]-	446.02036	204.7
[M+CH3COO]-	460.03601	203.0
[M+Na-2H]-	421.99683	194.5
[M]+	401.02161	201.7
[M]-	401.02271	201.7

Literature stripe

literature stripe

Patent stripe

patents stripe