PubChemLite - (r)-c3-tunephos (C39H32O2P2)

Structural Information

Molecular Formula

SMILES

C1COC2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)OC1

InChI

InChI=1S/C39H32O2P2/c1-5-16-30(17-6-1)42(31-18-7-2-8-19-31)36-26-13-24-34-38(36)39-35(41-29-15-28-40-34)25-14-27-37(39)43(32-20-9-3-10-21-32)33-22-11-4-12-23-33/h1-14,16-27H,15,28-29H2

InChIKey

GTIXSUJKFAATAE-UHFFFAOYSA-N

Compound name

(17-diphenylphosphanyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl)-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]+	595.19502	212.2
[M+Na]+	617.17696	214.7
[M+NH4]+	612.22156	213.1
[M+K]+	633.15090	211.0
[M-H]-	593.18046	214.2
[M+Na-2H]-	615.16241	211.6
[M]+	594.18719	213.3
[M]-	594.18829	213.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

595.19502

212.2

[M+Na]+

617.17696

214.7

[M+NH4]+

612.22156

213.1

[M+K]+

633.15090

211.0

[M-H]-

593.18046

214.2

[M+Na-2H]-

615.16241

211.6

[M]+

594.18719

213.3

[M]-

594.18829

213.3

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

(r)-c3-tunephos

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe