CID 9690053

2,4-dichloro-5-[(z)-[(4-chlorophenyl)hydrazono]methyl]-1,3-dihydroxy-xanthen-9-one

Structural Information

Molecular Formula
C20H11Cl3N2O4
SMILES
C1=CC(=C2C(=C1)C(=O)C3=C(C(=C(C(=C3O2)Cl)O)Cl)O)/C=N\NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H11Cl3N2O4/c21-10-4-6-11(7-5-10)25-24-8-9-2-1-3-12-16(26)13-17(27)14(22)18(28)15(23)20(13)29-19(9)12/h1-8,25,27-28H/b24-8-
InChIKey
YRNBNWPZINZLDF-GYRAYZOKSA-N
Compound name
2,4-dichloro-5-[(Z)-[(4-chlorophenyl)hydrazinylidene]methyl]-1,3-dihydroxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

447.97845 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.98573 197.8
[M+Na]+ 470.96767 211.5
[M-H]- 446.97117 205.4
[M+NH4]+ 466.01227 209.0
[M+K]+ 486.94161 205.2
[M+H-H2O]+ 430.97571 191.5
[M+HCOO]- 492.97665 206.5
[M+CH3COO]- 506.99230 208.1
[M+Na-2H]- 468.95312 202.7
[M]+ 447.97790 207.5
[M]- 447.97900 207.5
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.