PubChemLite - 20227-53-6 (C53H77O4P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCC1=CC=C(C=C1)OP(OC2=CC=C(C=C2)CCCCCCCCC)OC3=C(C=C(C=C3)C(C)(C)C4=CC(=C(C=C4)O)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C53H77O4P/c1-11-13-15-17-19-21-23-25-41-27-33-45(34-28-41)55-58(56-46-35-29-42(30-36-46)26-24-22-20-18-16-14-12-2)57-50-38-32-44(40-48(50)52(6,7)8)53(9,10)43-31-37-49(54)47(39-43)51(3,4)5/h27-40,54H,11-26H2,1-10H3

InChIKey

GVCIJKWSBDKBJP-UHFFFAOYSA-N

Compound name

[2-tert-butyl-4-[2-(3-tert-butyl-4-hydroxyphenyl)propan-2-yl]phenyl] bis(4-nonylphenyl) phosphite

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]+	809.56325	320.3
[M+Na]+	831.54519	315.1
[M-H]-	807.54869	325.7
[M+NH4]+	826.58979	313.3
[M+K]+	847.51913	309.2
[M+H-H2O]+	791.55323	302.6
[M+HCOO]-	853.55417	330.6
[M+CH3COO]-	867.56982	304.7
[M+Na-2H]-	829.53064	307.4
[M]+	808.55542	329.7
[M]-	808.55652	329.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

809.56325

320.3

[M+Na]+

831.54519

315.1

[M-H]-

807.54869

325.7

[M+NH4]+

826.58979

313.3

[M+K]+

847.51913

309.2

[M+H-H2O]+

791.55323

302.6

[M+HCOO]-

853.55417

330.6

[M+CH3COO]-

867.56982

304.7

[M+Na-2H]-

829.53064

307.4

[M]+

808.55542

329.7

[M]-

808.55652

329.7

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

20227-53-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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