PubChemLite - [1-acetoxy-5-[(z)-[(2,4-difluorophenyl)hydrazono]methyl]-9-oxo-xanthen-3-yl] acetate (C24H16F2N2O6)

Structural Information

Molecular Formula

SMILES

CC(=O)OC1=CC2=C(C(=C1)OC(=O)C)C(=O)C3=CC=CC(=C3O2)/C=N\NC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C24H16F2N2O6/c1-12(29)32-16-9-20(33-13(2)30)22-21(10-16)34-24-14(4-3-5-17(24)23(22)31)11-27-28-19-7-6-15(25)8-18(19)26/h3-11,28H,1-2H3/b27-11-

InChIKey

FAUNSVWAORZJBC-BCHBDCPOSA-N

Compound name

[1-acetyloxy-5-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-9-oxoxanthen-3-yl] acetate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	467.10494	209.3
[M+Na]+	489.08688	219.6
[M-H]-	465.09038	218.2
[M+NH4]+	484.13148	218.1
[M+K]+	505.06082	216.8
[M+H-H2O]+	449.09492	196.5
[M+HCOO]-	511.09586	230.5
[M+CH3COO]-	525.11151	243.8
[M+Na-2H]-	487.07233	212.6
[M]+	466.09711	216.3
[M]-	466.09821	216.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

467.10494

209.3

[M+Na]+

489.08688

219.6

[M-H]-

465.09038

218.2

[M+NH4]+

484.13148

218.1

[M+K]+

505.06082

216.8

[M+H-H2O]+

449.09492

196.5

[M+HCOO]-

511.09586

230.5

[M+CH3COO]-

525.11151

243.8

[M+Na-2H]-

487.07233

212.6

[M]+

466.09711

216.3

[M]-

466.09821

216.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

[1-acetoxy-5-[(z)-[(2,4-difluorophenyl)hydrazono]methyl]-9-oxo-xanthen-3-yl] acetate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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