PubChemLite - 32305-98-9 (C31H32O2P2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C31H32O2P2/c1-31(2)32-29(23-34(25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(33-31)24-35(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,29-30H,23-24H2,1-2H3/t29-,30-/m0/s1

InChIKey

VCHDBLPQYJAQSQ-KYJUHHDHSA-N

Compound name

[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane

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]+	499.19502	232.2
[M+Na]+	521.17696	233.1
[M-H]-	497.18046	244.3
[M+NH4]+	516.22156	238.5
[M+K]+	537.15090	229.9
[M+H-H2O]+	481.18500	215.5
[M+HCOO]-	543.18594	257.4
[M+CH3COO]-	557.20159	241.9
[M+Na-2H]-	519.16241	221.8
[M]+	498.18719	230.3
[M]-	498.18829	230.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

499.19502

232.2

[M+Na]+

521.17696

233.1

[M-H]-

497.18046

244.3

[M+NH4]+

516.22156

238.5

[M+K]+

537.15090

229.9

[M+H-H2O]+

481.18500

215.5

[M+HCOO]-

543.18594

257.4

[M+CH3COO]-

557.20159

241.9

[M+Na-2H]-

519.16241

221.8

[M]+

498.18719

230.3

[M]-

498.18829

230.3

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

32305-98-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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