PubChemLite - Einecs 258-419-1 (C39H58O10P2)

Structural Information

Molecular Formula

SMILES

CCC1(COC1)COP(OCC2(COC2)CC)OC3=CC=C(C=C3)C(C)(C)C4=CC=C(C=C4)OP(OCC5(COC5)CC)OCC6(COC6)CC

InChI

InChI=1S/C39H58O10P2/c1-7-36(19-40-20-36)27-44-50(45-28-37(8-2)21-41-22-37)48-33-15-11-31(12-16-33)35(5,6)32-13-17-34(18-14-32)49-51(46-29-38(9-3)23-42-24-38)47-30-39(10-4)25-43-26-39/h11-18H,7-10,19-30H2,1-6H3

InChIKey

PUAGNYNQTTXELE-UHFFFAOYSA-N

Compound name

[4-[2-[4-[bis[(3-ethyloxetan-3-yl)methoxy]phosphanyloxy]phenyl]propan-2-yl]phenyl] bis[(3-ethyloxetan-3-yl)methyl] 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]+	749.35778	238.6
[M+Na]+	771.33972	231.0
[M-H]-	747.34322	246.6
[M+NH4]+	766.38432	221.6
[M+K]+	787.31366	243.7
[M+H-H2O]+	731.34776	218.0
[M+HCOO]-	793.34870	245.2
[M+CH3COO]-	807.36435	282.9
[M+Na-2H]-	769.32517	232.2
[M]+	748.34995	265.7
[M]-	748.35105	265.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

749.35778

238.6

[M+Na]+

771.33972

231.0

[M-H]-

747.34322

246.6

[M+NH4]+

766.38432

221.6

[M+K]+

787.31366

243.7

[M+H-H2O]+

731.34776

218.0

[M+HCOO]-

793.34870

245.2

[M+CH3COO]-

807.36435

282.9

[M+Na-2H]-

769.32517

232.2

[M]+

748.34995

265.7

[M]-

748.35105

265.7

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

Einecs 258-419-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe