PubChemLite - 54771-30-1 (C54H87O3P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCC1=C(C(=CC=C1)OP(OC2=CC=CC=C2CCCCCCCCC)OC3=CC=CC=C3CCCCCCCCC)CCCCCCCCC

InChI

InChI=1S/C54H87O3P/c1-5-9-13-17-21-25-29-38-48-43-37-47-54(51(48)44-32-28-24-20-16-12-8-4)57-58(55-52-45-35-33-41-49(52)39-30-26-22-18-14-10-6-2)56-53-46-36-34-42-50(53)40-31-27-23-19-15-11-7-3/h33-37,41-43,45-47H,5-32,38-40,44H2,1-4H3

InChIKey

OZFFDSIESCRZEA-UHFFFAOYSA-N

Compound name

[2,3-di(nonyl)phenyl] bis(2-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]+	815.64658	330.6
[M+Na]+	837.62852	322.1
[M-H]-	813.63202	331.4
[M+NH4]+	832.67312	269.4
[M+K]+	853.60246	311.9
[M+H-H2O]+	797.63656	311.1
[M+HCOO]-	859.63750	286.3
[M+CH3COO]-	873.65315	308.9
[M+Na-2H]-	835.61397	311.1
[M]+	814.63875	344.9
[M]-	814.63985	344.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

815.64658

330.6

[M+Na]+

837.62852

322.1

[M-H]-

813.63202

331.4

[M+NH4]+

832.67312

269.4

[M+K]+

853.60246

311.9

[M+H-H2O]+

797.63656

311.1

[M+HCOO]-

859.63750

286.3

[M+CH3COO]-

873.65315

308.9

[M+Na-2H]-

835.61397

311.1

[M]+

814.63875

344.9

[M]-

814.63985

344.9

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

54771-30-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe