CID 9690057

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

Structural Information

Molecular Formula
C20H10Cl4N2O4
SMILES
C1=CC(=C2C(=C1)C(=O)C3=C(C(=C(C(=C3O2)Cl)O)Cl)O)/C=N\NC4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C20H10Cl4N2O4/c21-9-4-5-12(11(22)6-9)26-25-7-8-2-1-3-10-16(27)13-17(28)14(23)18(29)15(24)20(13)30-19(8)10/h1-7,26,28-29H/b25-7-
InChIKey
PXVXUUSMWMGBDJ-ONAMSPKSSA-N
Compound name
2,4-dichloro-5-[(Z)-[(2,4-dichlorophenyl)hydrazinylidene]methyl]-1,3-dihydroxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

481.93945 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.94673 202.8
[M+Na]+ 504.92867 216.4
[M-H]- 480.93217 208.6
[M+NH4]+ 499.97327 212.7
[M+K]+ 520.90261 210.8
[M+H-H2O]+ 464.93671 197.4
[M+HCOO]- 526.93765 205.9
[M+CH3COO]- 540.95330 211.8
[M+Na-2H]- 502.91412 205.5
[M]+ 481.93890 212.3
[M]- 481.94000 212.3
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.