PubChemLite - 1166994-77-9 (C34H37P)

Structural Information

Molecular Formula

SMILES

C1CCC(CC1)P(C2CCCCC2)C3=C(C4C5=CC=CC=C5C3C6=CC=CC=C46)C7=CC=CC=C7

InChI

InChI=1S/C34H37P/c1-4-14-24(15-5-1)31-32-27-20-10-12-22-29(27)33(30-23-13-11-21-28(30)32)34(31)35(25-16-6-2-7-17-25)26-18-8-3-9-19-26/h1,4-5,10-15,20-23,25-26,32-33H,2-3,6-9,16-19H2

InChIKey

IZGZRDMNBDXDBL-UHFFFAOYSA-N

Compound name

dicyclohexyl-(16-phenyl-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl)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]+	477.27056	209.6
[M+Na]+	499.25250	205.2
[M-H]-	475.25600	214.8
[M+NH4]+	494.29710	219.1
[M+K]+	515.22644	197.0
[M+H-H2O]+	459.26054	191.7
[M+HCOO]-	521.26148	216.5
[M+CH3COO]-	535.27713	211.9
[M+Na-2H]-	497.23795	205.1
[M]+	476.26273	199.3
[M]-	476.26383	199.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

477.27056

209.6

[M+Na]+

499.25250

205.2

[M-H]-

475.25600

214.8

[M+NH4]+

494.29710

219.1

[M+K]+

515.22644

197.0

[M+H-H2O]+

459.26054

191.7

[M+HCOO]-

521.26148

216.5

[M+CH3COO]-

535.27713

211.9

[M+Na-2H]-

497.23795

205.1

[M]+

476.26273

199.3

[M]-

476.26383

199.3

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

1166994-77-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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