PubChemLite - 52435-87-7 (C26H18O7)

Structural Information

Molecular Formula

SMILES

CC(=O)OC1(C2=CC=CC3=C2C(=CC=C3)C(=O)O1)C4=CC(=C(C5=CC=CC=C54)O)C(=O)OC

InChI

InChI=1S/C26H18O7/c1-14(27)32-26(20-12-6-8-15-7-5-11-18(22(15)20)25(30)33-26)21-13-19(24(29)31-2)23(28)17-10-4-3-9-16(17)21/h3-13,28H,1-2H3

InChIKey

FLIPGGYCYPKIFD-UHFFFAOYSA-N

Compound name

methyl 4-(2-acetyloxy-4-oxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl)-1-hydroxynaphthalene-2-carboxylate

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]+	443.11254	203.3
[M+Na]+	465.09448	212.0
[M-H]-	441.09798	211.7
[M+NH4]+	460.13908	214.9
[M+K]+	481.06842	210.0
[M+H-H2O]+	425.10252	192.5
[M+HCOO]-	487.10346	217.5
[M+CH3COO]-	501.11911	212.6
[M+Na-2H]-	463.07993	208.5
[M]+	442.10471	210.4
[M]-	442.10581	210.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

443.11254

203.3

[M+Na]+

465.09448

212.0

[M-H]-

441.09798

211.7

[M+NH4]+

460.13908

214.9

[M+K]+

481.06842

210.0

[M+H-H2O]+

425.10252

192.5

[M+HCOO]-

487.10346

217.5

[M+CH3COO]-

501.11911

212.6

[M+Na-2H]-

463.07993

208.5

[M]+

442.10471

210.4

[M]-

442.10581

210.4

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

52435-87-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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