PubChemLite - 2115838-60-1 (C28H42O3P2)

Structural Information

Molecular Formula

SMILES

CC12CC3(OC(O1)(CC(O2)(P3C4=CC=CC=C4P(C5CCCCC5)C6CCCCC6)C)C)C

InChI

InChI=1S/C28H42O3P2/c1-25-19-27(3)31-26(2,29-25)20-28(4,30-25)33(27)24-18-12-11-17-23(24)32(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3

InChIKey

RDFYIHPJEXXODP-UHFFFAOYSA-N

Compound name

dicyclohexyl-[2-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl)phenyl]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]+	489.26821	214.9
[M+Na]+	511.25015	212.0
[M-H]-	487.25365	215.3
[M+NH4]+	506.29475	229.4
[M+K]+	527.22409	211.5
[M+H-H2O]+	471.25819	193.7
[M+HCOO]-	533.25913	217.5
[M+CH3COO]-	547.27478	216.7
[M+Na-2H]-	509.23560	211.0
[M]+	488.26038	209.9
[M]-	488.26148	209.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

489.26821

214.9

[M+Na]+

511.25015

212.0

[M-H]-

487.25365

215.3

[M+NH4]+

506.29475

229.4

[M+K]+

527.22409

211.5

[M+H-H2O]+

471.25819

193.7

[M+HCOO]-

533.25913

217.5

[M+CH3COO]-

547.27478

216.7

[M+Na-2H]-

509.23560

211.0

[M]+

488.26038

209.9

[M]-

488.26148

209.9

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

2115838-60-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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