CID 44146517

2-butoxyethyl diisotridecyl phosphite

Structural Information

Molecular Formula
C32H67O4P
SMILES
CCCCOCCOP(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C
InChI
InChI=1S/C32H67O4P/c1-6-7-26-33-29-30-36-37(34-27-22-18-14-10-8-12-16-20-24-31(2)3)35-28-23-19-15-11-9-13-17-21-25-32(4)5/h31-32H,6-30H2,1-5H3
InChIKey
ZUQJURLNMGWWFZ-UHFFFAOYSA-N
Compound name
2-butoxyethyl bis(11-methyldodecyl) phosphite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

546.4777 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.484976 252.0
[M+Na]+ 569.466918 256.3
[M-H]- 545.470424 236.2
[M+NH4]+ 564.511523 255.0
[M+K]+ 585.440858 256.5
[M+H-H2O]+ 529.474960 246.5
[M+HCOO]- 591.475901 255.4
[M+CH3COO]- 605.491551 260.3
[M+Na-2H]- 567.452366 234.4
[M]+ 546.47715142 250.3
[M]- 546.47824858 250.3
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

No patent data available for this compound.