PubChemLite - (bzo)6biph(cho)2 (C56H46O8)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)COC2=C(C(=C(C(=C2)C=O)C3=C(C(=C(C=C3C=O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8

InChI

InChI=1S/C56H46O8/c57-33-47-31-49(59-35-41-19-7-1-8-20-41)53(61-37-43-23-11-3-12-24-43)55(63-39-45-27-15-5-16-28-45)51(47)52-48(34-58)32-50(60-36-42-21-9-2-10-22-42)54(62-38-44-25-13-4-14-26-44)56(52)64-40-46-29-17-6-18-30-46/h1-34H,35-40H2

InChIKey

SBGFVEZNBMKDJR-UHFFFAOYSA-N

Compound name

2-[6-formyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzaldehyde

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]+	847.32658	308.3
[M+Na]+	869.30852	305.7
[M-H]-	845.31202	325.9
[M+NH4]+	864.35312	295.7
[M+K]+	885.28246	301.3
[M+H-H2O]+	829.31656	284.7
[M+HCOO]-	891.31750	321.3
[M+CH3COO]-	905.33315	306.5
[M+Na-2H]-	867.29397	301.4
[M]+	846.31875	311.0
[M]-	846.31985	311.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

847.32658

308.3

[M+Na]+

869.30852

305.7

[M-H]-

845.31202

325.9

[M+NH4]+

864.35312

295.7

[M+K]+

885.28246

301.3

[M+H-H2O]+

829.31656

284.7

[M+HCOO]-

891.31750

321.3

[M+CH3COO]-

905.33315

306.5

[M+Na-2H]-

867.29397

301.4

[M]+

846.31875

311.0

[M]-

846.31985

311.0

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

(bzo)6biph(cho)2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe