CID 9690049

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

Structural Information

Molecular Formula
C20H12F2N2O4
SMILES
C1=CC(=C2C(=C1)C(=O)C3=C(C=C(C=C3O2)O)O)/C=N\NC4=C(C=C(C=C4)F)F
InChI
InChI=1S/C20H12F2N2O4/c21-11-4-5-15(14(22)6-11)24-23-9-10-2-1-3-13-19(27)18-16(26)7-12(25)8-17(18)28-20(10)13/h1-9,24-26H/b23-9-
InChIKey
ODHDNIPNYLUUDR-AQHIEDMUSA-N
Compound name
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

382.0765 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.08378 186.3
[M+Na]+ 405.06572 198.4
[M-H]- 381.06922 193.3
[M+NH4]+ 400.11032 197.9
[M+K]+ 421.03966 193.0
[M+H-H2O]+ 365.07376 175.1
[M+HCOO]- 427.07470 207.5
[M+CH3COO]- 441.09035 197.3
[M+Na-2H]- 403.05117 193.0
[M]+ 382.07595 188.7
[M]- 382.07705 188.7
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.