CID 3000647

Mls000757138

Structural Information

Molecular Formula
C20H15Cl2NO4
SMILES
COC1=CC=C(C=C1)N/C=C/2\C(=O)CCC3=C2OC4=CC(=C(C(=C34)Cl)O)Cl
InChI
InChI=1S/C20H15Cl2NO4/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/h2-5,8-9,23,25H,6-7H2,1H3/b13-9+
InChIKey
GOSOFAONCKLXHN-UKTHLTGXSA-N
Compound name
(4Z)-7,9-dichloro-8-hydroxy-4-[(4-methoxyanilino)methylidene]-1,2-dihydrodibenzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

403.0378 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.04508 192.0
[M+Na]+ 426.02702 204.1
[M-H]- 402.03052 200.3
[M+NH4]+ 421.07162 206.8
[M+K]+ 442.00096 197.3
[M+H-H2O]+ 386.03506 186.4
[M+HCOO]- 448.03600 203.1
[M+CH3COO]- 462.05165 203.0
[M+Na-2H]- 424.01247 193.7
[M]+ 403.03725 199.1
[M]- 403.03835 199.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.