PubChemLite - 93379-49-8 (C31H30O4)

Structural Information

Molecular Formula

SMILES

CC1(O[C@H]([C@@H](O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)C

InChI

InChI=1S/C31H30O4/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28,32-33H,1-2H3/t27-,28-/m1/s1

InChIKey

OWVIRVJQDVCGQX-VSGBNLITSA-N

Compound name

[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol

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]+	467.22170	212.7
[M+Na]+	489.20364	216.1
[M-H]-	465.20714	226.2
[M+NH4]+	484.24824	218.9
[M+K]+	505.17758	213.0
[M+H-H2O]+	449.21168	202.9
[M+HCOO]-	511.21262	225.5
[M+CH3COO]-	525.22827	220.1
[M+Na-2H]-	487.18909	216.1
[M]+	466.21387	210.7
[M]-	466.21497	210.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

467.22170

212.7

[M+Na]+

489.20364

216.1

[M-H]-

465.20714

226.2

[M+NH4]+

484.24824

218.9

[M+K]+

505.17758

213.0

[M+H-H2O]+

449.21168

202.9

[M+HCOO]-

511.21262

225.5

[M+CH3COO]-

525.22827

220.1

[M+Na-2H]-

487.18909

216.1

[M]+

466.21387

210.7

[M]-

466.21497

210.7

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

93379-49-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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