PubChemLite - 63451-50-3 (C63H105O3P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C63H105O3P/c1-6-11-16-21-26-31-36-45-56-49-43-54-62(59(56)51-39-34-29-24-19-14-9-4)65-67(64-61-53-42-41-48-58(61)47-38-33-28-23-18-13-8-3)66-63-55-44-50-57(46-37-32-27-22-17-12-7-2)60(63)52-40-35-30-25-20-15-10-5/h41-44,48-50,53-55H,6-40,45-47,51-52H2,1-5H3

InChIKey

BDXLTGHNJUYTQE-UHFFFAOYSA-N

Compound name

bis[2,3-di(nonyl)phenyl] (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]+	941.78743	296.9
[M+Na]+	963.76937	302.7
[M-H]-	939.77287	272.9
[M+NH4]+	958.81397	298.3
[M+K]+	979.74331	304.8
[M+H-H2O]+	923.77741	292.4
[M+HCOO]-	985.77835	312.0
[M+CH3COO]-	999.79400	332.6
[M+Na-2H]-	961.75482	274.4
[M]+	940.77960	295.8
[M]-	940.78070	295.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

941.78743

296.9

[M+Na]+

963.76937

302.7

[M-H]-

939.77287

272.9

[M+NH4]+

958.81397

298.3

[M+K]+

979.74331

304.8

[M+H-H2O]+

923.77741

292.4

[M+HCOO]-

985.77835

312.0

[M+CH3COO]-

999.79400

332.6

[M+Na-2H]-

961.75482

274.4

[M]+

940.77960

295.8

[M]-

940.78070

295.8

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

63451-50-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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