PubChemLite - (r)-phanephos (C40H34P2)

Structural Information

Molecular Formula

SMILES

C1CC2=C(C=C(CCC3=C(C=C1C=C3)P(C4=CC=CC=C4)C5=CC=CC=C5)C=C2)P(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C40H34P2/c1-5-13-35(14-6-1)41(36-15-7-2-8-16-36)39-29-31-21-25-33(39)27-23-32-22-26-34(28-24-31)40(30-32)42(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-22,25-26,29-30H,23-24,27-28H2

InChIKey

GYZZZILPVUYAFJ-UHFFFAOYSA-N

Compound name

(11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)-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]+	577.22084	220.1
[M+Na]+	599.20278	210.7
[M-H]-	575.20628	208.2
[M+NH4]+	594.24738	218.7
[M+K]+	615.17672	210.1
[M+H-H2O]+	559.21082	210.0
[M+HCOO]-	621.21176	225.8
[M+CH3COO]-	635.22741	215.9
[M+Na-2H]-	597.18823	214.9
[M]+	576.21301	210.6
[M]-	576.21411	210.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

577.22084

220.1

[M+Na]+

599.20278

210.7

[M-H]-

575.20628

208.2

[M+NH4]+

594.24738

218.7

[M+K]+

615.17672

210.1

[M+H-H2O]+

559.21082

210.0

[M+HCOO]-

621.21176

225.8

[M+CH3COO]-

635.22741

215.9

[M+Na-2H]-

597.18823

214.9

[M]+

576.21301

210.6

[M]-

576.21411

210.6

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

(r)-phanephos

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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