PubChemLite - 71042-55-2 (C31H28P2)

Structural Information

Molecular Formula

SMILES

C1C2C=CC1C(C2P(C3=CC=CC=C3)C4=CC=CC=C4)P(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H28P2/c1-5-13-26(14-6-1)32(27-15-7-2-8-16-27)30-24-21-22-25(23-24)31(30)33(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-22,24-25,30-31H,23H2

InChIKey

CDJHPMXMJUCLPA-UHFFFAOYSA-N

Compound name

(3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-5-enyl)-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]+	463.17391	214.9
[M+Na]+	485.15585	229.9
[M+NH4]+	480.20045	225.2
[M+K]+	501.12979	221.9
[M-H]-	461.15935	225.5
[M+Na-2H]-	483.14130	225.4
[M]+	462.16608	220.2
[M]-	462.16718	220.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

463.17391

214.9

[M+Na]+

485.15585

229.9

[M+NH4]+

480.20045

225.2

[M+K]+

501.12979

221.9

[M-H]-

461.15935

225.5

[M+Na-2H]-

483.14130

225.4

[M]+

462.16608

220.2

[M]-

462.16718

220.2

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

71042-55-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe