PubChemLite - 171721-00-9 (C26H21FO7)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C(=O)OC[C@H]2[C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC=CC=C3)F)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H21FO7/c27-21-22(33-24(29)18-12-6-2-7-13-18)20(16-31-23(28)17-10-4-1-5-11-17)32-26(21)34-25(30)19-14-8-3-9-15-19/h1-15,20-22,26H,16H2/t20-,21+,22-,26-/m0/s1

InChIKey

JOAHVPNLVYCSAN-MSZDEVHKSA-N

Compound name

[(2S,3S,4R,5S)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl benzoate

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]+	465.13442	208.2
[M+Na]+	487.11636	211.6
[M-H]-	463.11986	219.6
[M+NH4]+	482.16096	215.0
[M+K]+	503.09030	210.1
[M+H-H2O]+	447.12440	197.1
[M+HCOO]-	509.12534	225.6
[M+CH3COO]-	523.14099	229.7
[M+Na-2H]-	485.10181	204.8
[M]+	464.12659	210.3
[M]-	464.12769	210.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

465.13442

208.2

[M+Na]+

487.11636

211.6

[M-H]-

463.11986

219.6

[M+NH4]+

482.16096

215.0

[M+K]+

503.09030

210.1

[M+H-H2O]+

447.12440

197.1

[M+HCOO]-

509.12534

225.6

[M+CH3COO]-

523.14099

229.7

[M+Na-2H]-

485.10181

204.8

[M]+

464.12659

210.3

[M]-

464.12769

210.3

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

171721-00-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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