PubChemLite - Tetradodecyl oxybis(1-methylethylene) bis(phosphate) (C54H112O7P2)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCOP(OCCCCCCCCCCCC)OC(C)COCC(C)OP(OCCCCCCCCCCCC)OCCCCCCCCCCCC

InChI

InChI=1S/C54H112O7P2/c1-7-11-15-19-23-27-31-35-39-43-47-56-62(57-48-44-40-36-32-28-24-20-16-12-8-2)60-53(5)51-55-52-54(6)61-63(58-49-45-41-37-33-29-25-21-17-13-9-3)59-50-46-42-38-34-30-26-22-18-14-10-4/h53-54H,7-52H2,1-6H3

InChIKey

CKARFCCWMBXVRW-UHFFFAOYSA-N

Compound name

1-(2-didodecoxyphosphanyloxypropoxy)propan-2-yl didodecyl 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]+	935.79558	343.7
[M+Na]+	957.77752	341.9
[M-H]-	933.78102	321.9
[M+NH4]+	952.82212	350.6
[M+K]+	973.75146	350.9
[M+H-H2O]+	917.78556	330.0
[M+HCOO]-	979.78650	336.3
[M+CH3COO]-	993.80215	328.3
[M+Na-2H]-	955.76297	313.6
[M]+	934.78775	343.2
[M]-	934.78885	343.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

935.79558

343.7

[M+Na]+

957.77752

341.9

[M-H]-

933.78102

321.9

[M+NH4]+

952.82212

350.6

[M+K]+

973.75146

350.9

[M+H-H2O]+

917.78556

330.0

[M+HCOO]-

979.78650

336.3

[M+CH3COO]-

993.80215

328.3

[M+Na-2H]-

955.76297

313.6

[M]+

934.78775

343.2

[M]-

934.78885

343.2

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

Tetradodecyl oxybis(1-methylethylene) bis(phosphate)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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