CID 9690050

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

Structural Information

Molecular Formula
C20H12Cl2N2O4
SMILES
C1=CC=C(C=C1)N/N=C\C2=C3C(=CC=C2)C(=O)C4=C(C(=C(C(=C4O3)Cl)O)Cl)O
InChI
InChI=1S/C20H12Cl2N2O4/c21-14-17(26)13-16(25)12-8-4-5-10(9-23-24-11-6-2-1-3-7-11)19(12)28-20(13)15(22)18(14)27/h1-9,24,26-27H/b23-9-
InChIKey
ZXOPNIJJHHYHQF-AQHIEDMUSA-N
Compound name
2,4-dichloro-1,3-dihydroxy-5-[(Z)-(phenylhydrazinylidene)methyl]xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

414.01743 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.02471 192.3
[M+Na]+ 437.00665 205.3
[M-H]- 413.01015 200.9
[M+NH4]+ 432.05125 204.4
[M+K]+ 452.98059 199.0
[M+H-H2O]+ 397.01469 184.9
[M+HCOO]- 459.01563 206.3
[M+CH3COO]- 473.03128 203.4
[M+Na-2H]- 434.99210 199.0
[M]+ 414.01688 201.0
[M]- 414.01798 201.0
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.