PubChemLite - 2197989-24-3 (C39H57O2P)

Structural Information

Molecular Formula

SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3CCCCC3)C45CC6CC(C4)CC(C6)C5)OC)OC)C(C)C

InChI

InChI=1S/C39H57O2P/c1-24(2)30-19-32(25(3)4)36(33(20-30)26(5)6)37-34(40-7)14-15-35(41-8)38(37)42(31-12-10-9-11-13-31)39-21-27-16-28(22-39)18-29(17-27)23-39/h14-15,19-20,24-29,31H,9-13,16-18,21-23H2,1-8H3

InChIKey

AMESLWUOCNKBCL-UHFFFAOYSA-N

Compound name

1-adamantyl-cyclohexyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]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]+	589.41688	251.7
[M+Na]+	611.39882	244.0
[M-H]-	587.40232	250.2
[M+NH4]+	606.44342	260.3
[M+K]+	627.37276	239.5
[M+H-H2O]+	571.40686	235.5
[M+HCOO]-	633.40780	248.8
[M+CH3COO]-	647.42345	249.9
[M+Na-2H]-	609.38427	239.6
[M]+	588.40905	248.5
[M]-	588.41015	248.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

589.41688

251.7

[M+Na]+

611.39882

244.0

[M-H]-

587.40232

250.2

[M+NH4]+

606.44342

260.3

[M+K]+

627.37276

239.5

[M+H-H2O]+

571.40686

235.5

[M+HCOO]-

633.40780

248.8

[M+CH3COO]-

647.42345

249.9

[M+Na-2H]-

609.38427

239.6

[M]+

588.40905

248.5

[M]-

588.41015

248.5

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

2197989-24-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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