Einecs 276-294-1 (C36H56O6P2)

Structural Information

Molecular Formula

SMILES

CCCC(C1=CC(=C(C=C1C)OP2OCC(CO2)(C)C)C(C)(C)C)C3=CC(=C(C=C3C)OP4OCC(CO4)(C)C)C(C)(C)C

InChI

InChI=1S/C36H56O6P2/c1-14-15-26(27-18-29(33(4,5)6)31(16-24(27)2)41-43-37-20-35(10,11)21-38-43)28-19-30(34(7,8)9)32(17-25(28)3)42-44-39-22-36(12,13)23-40-44/h16-19,26H,14-15,20-23H2,1-13H3

InChIKey

YHFPAJFUHALXOH-UHFFFAOYSA-N

Compound name

2-[2-tert-butyl-4-[1-[5-tert-butyl-4-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-2-methylphenyl]butyl]-5-methylphenoxy]-5,5-dimethyl-1,3,2-dioxaphosphinane

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]+	647.362476	271.7
[M+Na]+	669.344418	273.0
[M-H]-	645.347924	282.3
[M+NH4]+	664.389023	272.2
[M+K]+	685.318358	277.4
[M+H-H2O]+	629.352460	256.9
[M+HCOO]-	691.353401	285.0
[M+CH3COO]-	705.369051	277.2
[M+Na-2H]-	667.329866	263.2
[M]+	646.35465142	278.0
[M]-	646.35574858	278.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

647.362476

271.7

[M+Na]+

669.344418

273.0

[M-H]-

645.347924

282.3

[M+NH4]+

664.389023

272.2

[M+K]+

685.318358

277.4

[M+H-H2O]+

629.352460

256.9

[M+HCOO]-

691.353401

285.0

[M+CH3COO]-

705.369051

277.2

[M+Na-2H]-

667.329866

263.2

[M]+

646.35465142

278.0

[M]-

646.35574858

278.0

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

Einecs 276-294-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe