PubChemLite - 1445972-29-1 (C43H61O2P)

Structural Information

Molecular Formula

SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C34CC5CC(C3)CC(C5)C4)C67CC8CC(C6)CC(C8)C7)OC)OC)C(C)C

InChI

InChI=1S/C43H61O2P/c1-25(2)34-17-35(26(3)4)39(36(18-34)27(5)6)40-37(44-7)9-10-38(45-8)41(40)46(42-19-28-11-29(20-42)13-30(12-28)21-42)43-22-31-14-32(23-43)16-33(15-31)24-43/h9-10,17-18,25-33H,11-16,19-24H2,1-8H3

InChIKey

NMGHOZQCYNKWBG-UHFFFAOYSA-N

Compound name

bis(1-adamantyl)-[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]+	641.44818	244.1
[M+Na]+	663.43012	229.5
[M-H]-	639.43362	233.7
[M+NH4]+	658.47472	252.9
[M+K]+	679.40406	224.5
[M+H-H2O]+	623.43816	220.8
[M+HCOO]-	685.43910	226.8
[M+CH3COO]-	699.45475	236.5
[M+Na-2H]-	661.41557	233.9
[M]+	640.44035	238.7
[M]-	640.44145	238.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

641.44818

244.1

[M+Na]+

663.43012

229.5

[M-H]-

639.43362

233.7

[M+NH4]+

658.47472

252.9

[M+K]+

679.40406

224.5

[M+H-H2O]+

623.43816

220.8

[M+HCOO]-

685.43910

226.8

[M+CH3COO]-

699.45475

236.5

[M+Na-2H]-

661.41557

233.9

[M]+

640.44035

238.7

[M]-

640.44145

238.7

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

1445972-29-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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