PubChemLite - (s)-(-)-2,2'-bis(di-2-furanylphosphino)-6,6'-dimethoxy-1,1'-biphenyl (C30H24O6P2)

Structural Information

Molecular Formula

SMILES

COC1=C(C(=CC=C1)P(C2=CC=CO2)C3=CC=CO3)C4=C(C=CC=C4P(C5=CC=CO5)C6=CC=CO6)OC

InChI

InChI=1S/C30H24O6P2/c1-31-21-9-3-11-23(37(25-13-5-17-33-25)26-14-6-18-34-26)29(21)30-22(32-2)10-4-12-24(30)38(27-15-7-19-35-27)28-16-8-20-36-28/h3-20H,1-2H3

InChIKey

ABGYJVGTLXSMBM-UHFFFAOYSA-N

Compound name

[2-[2-[bis(furan-2-yl)phosphanyl]-6-methoxyphenyl]-3-methoxyphenyl]-bis(furan-2-yl)phosphane

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]+	543.11208	226.4
[M+Na]+	565.09402	231.0
[M-H]-	541.09752	246.7
[M+NH4]+	560.13862	232.2
[M+K]+	581.06796	234.6
[M+H-H2O]+	525.10206	217.7
[M+HCOO]-	587.10300	258.6
[M+CH3COO]-	601.11865	236.2
[M+Na-2H]-	563.07947	214.1
[M]+	542.10425	235.9
[M]-	542.10535	235.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

543.11208

226.4

[M+Na]+

565.09402

231.0

[M-H]-

541.09752

246.7

[M+NH4]+

560.13862

232.2

[M+K]+

581.06796

234.6

[M+H-H2O]+

525.10206

217.7

[M+HCOO]-

587.10300

258.6

[M+CH3COO]-

601.11865

236.2

[M+Na-2H]-

563.07947

214.1

[M]+

542.10425

235.9

[M]-

542.10535

235.9

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

(s)-(-)-2,2'-bis(di-2-furanylphosphino)-6,6'-dimethoxy-1,1'-biphenyl

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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