CID 104426

53184-75-1

Structural Information

Molecular Formula
C39H58O10P2
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

compound 2d structure
2
Annotation Hits

0
References

2
Patents

748.3505 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 749.35778 244.6
[M+Na]+ 771.33972 238.0
[M+NH4]+ 766.38432 239.0
[M+K]+ 787.31366 235.6
[M-H]- 747.34322 243.2
[M+Na-2H]- 769.32517 241.0
[M]+ 748.34995 240.8
[M]- 748.35105 240.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe