PubChemLite - 760988-03-2 (C24H17FO6)

Structural Information

Molecular Formula

SMILES

C1=CC(=C(C=C1/C=C/C2=CC(=C(C=C2)O)C(=O)O)F)/C=C/C3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C24H17FO6/c25-20-13-16(2-1-14-5-9-21(26)18(11-14)23(28)29)4-8-17(20)7-3-15-6-10-22(27)19(12-15)24(30)31/h1-13,26-27H,(H,28,29)(H,30,31)/b2-1+,7-3+

InChIKey

DZXZHGCGNRRJEG-WMWQKROPSA-N

Compound name

5-[(E)-2-[4-[(E)-2-(3-carboxy-4-hydroxyphenyl)ethenyl]-3-fluorophenyl]ethenyl]-2-hydroxybenzoic acid

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]+	421.10820	201.9
[M+Na]+	443.09014	214.0
[M+NH4]+	438.13474	204.9
[M+K]+	459.06408	208.4
[M-H]-	419.09364	202.9
[M+Na-2H]-	441.07559	206.4
[M]+	420.10037	203.5
[M]-	420.10147	203.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

421.10820

201.9

[M+Na]+

443.09014

214.0

[M+NH4]+

438.13474

204.9

[M+K]+

459.06408

208.4

[M-H]-

419.09364

202.9

[M+Na-2H]-

441.07559

206.4

[M]+

420.10037

203.5

[M]-

420.10147

203.5

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

760988-03-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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