CID 9690056

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

Structural Information

Molecular Formula
C20H11Cl2FN2O4
SMILES
C1=CC(=C2C(=C1)C(=O)C3=C(C(=C(C(=C3O2)Cl)O)Cl)O)/C=N\NC4=CC=C(C=C4)F
InChI
InChI=1S/C20H11Cl2FN2O4/c21-14-17(27)13-16(26)12-3-1-2-9(19(12)29-20(13)15(22)18(14)28)8-24-25-11-6-4-10(23)5-7-11/h1-8,25,27-28H/b24-8-
InChIKey
WOMDHTCTBXDJDK-GYRAYZOKSA-N
Compound name
2,4-dichloro-5-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-1,3-dihydroxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.008 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.01528 195.7
[M+Na]+ 454.99722 209.7
[M-H]- 431.00072 203.4
[M+NH4]+ 450.04182 207.3
[M+K]+ 470.97116 203.0
[M+H-H2O]+ 415.00526 187.6
[M+HCOO]- 477.00620 208.7
[M+CH3COO]- 491.02185 206.6
[M+Na-2H]- 452.98267 201.1
[M]+ 432.00745 204.0
[M]- 432.00855 204.0
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.