CID 104277

3,9-bis(4-nonylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

Structural Information

Molecular Formula
C35H54O6P2
SMILES
CCCCCCCCCC1=CC=C(C=C1)OP2OCC3(CO2)COP(OC3)OC4=CC=C(C=C4)CCCCCCCCC
InChI
InChI=1S/C35H54O6P2/c1-3-5-7-9-11-13-15-17-31-19-23-33(24-20-31)40-42-36-27-35(28-37-42)29-38-43(39-30-35)41-34-25-21-32(22-26-34)18-16-14-12-10-8-6-4-2/h19-26H,3-18,27-30H2,1-2H3
InChIKey
DTTQEPMYWLJIKN-UHFFFAOYSA-N
Compound name
3,9-bis(4-nonylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

335
Patents

632.33954 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.346816 277.6
[M+Na]+ 655.328758 273.8
[M-H]- 631.332264 284.3
[M+NH4]+ 650.373363 275.1
[M+K]+ 671.302698 274.0
[M+H-H2O]+ 615.336800 258.9
[M+HCOO]- 677.337741 294.7
[M+CH3COO]- 691.353391 267.5
[M+Na-2H]- 653.314206 266.6
[M]+ 632.33899142 282.4
[M]- 632.34008858 282.4
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