CID 9690065

6-[(e)-[(4-fluorophenyl)hydrazono]methyl]-1,3-dihydroxy-xanthen-9-one

Structural Information

Molecular Formula
C20H13FN2O4
SMILES
C1=CC(=CC=C1N/N=C/C2=CC3=C(C=C2)C(=O)C4=C(C=C(C=C4O3)O)O)F
InChI
InChI=1S/C20H13FN2O4/c21-12-2-4-13(5-3-12)23-22-10-11-1-6-15-17(7-11)27-18-9-14(24)8-16(25)19(18)20(15)26/h1-10,23-25H/b22-10+
InChIKey
IEYUUNVRHYIJRX-LSHDLFTRSA-N
Compound name
6-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-1,3-dihydroxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.08594 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.09322 181.8
[M+Na]+ 387.07516 192.9
[M-H]- 363.07866 189.8
[M+NH4]+ 382.11976 194.0
[M+K]+ 403.04910 187.9
[M+H-H2O]+ 347.08320 171.5
[M+HCOO]- 409.08414 204.2
[M+CH3COO]- 423.09979 193.1
[M+Na-2H]- 385.06061 190.0
[M]+ 364.08539 184.8
[M]- 364.08649 184.8
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.