CID 9690059

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

Structural Information

Molecular Formula
C20H10Cl2F2N2O4
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)F)F
InChI
InChI=1S/C20H10Cl2F2N2O4/c21-14-17(28)13-16(27)10-3-1-2-8(19(10)30-20(13)15(22)18(14)29)7-25-26-12-5-4-9(23)6-11(12)24/h1-7,26,28-29H/b25-7-
InChIKey
WHJWCKGSZUGDGA-ONAMSPKSSA-N
Compound name
2,4-dichloro-5-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-1,3-dihydroxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

449.99857 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.00585 199.2
[M+Na]+ 472.98779 214.1
[M-H]- 448.99129 205.8
[M+NH4]+ 468.03239 210.3
[M+K]+ 488.96173 207.1
[M+H-H2O]+ 432.99583 190.3
[M+HCOO]- 494.99677 211.1
[M+CH3COO]- 509.01242 209.7
[M+Na-2H]- 470.97324 203.3
[M]+ 449.99802 207.0
[M]- 449.99912 207.0
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.