CID 56842589

85851-93-0

Structural Information

Molecular Formula
C46H94O8P2
SMILES
CC1COC(C(OP(=O)(O1)OP(=O)(OCCCCCCCC(C)C)OCCCCCCCC(C)C)(C)CCCCCCCC(C)C)CCCCCCCC(C)C
InChI
InChI=1S/C46H94O8P2/c1-40(2)31-23-15-11-19-27-35-45-46(10,36-28-20-12-16-24-32-41(3)4)53-56(48,52-44(9)39-49-45)54-55(47,50-37-29-21-13-17-25-33-42(5)6)51-38-30-22-14-18-26-34-43(7)8/h40-45H,11-39H2,1-10H3
InChIKey
LGAOIVUPQLUKES-UHFFFAOYSA-N
Compound name
[4,8-dimethyl-4,5-bis(8-methylnonyl)-2-oxo-1,3,6,2lambda5-trioxaphosphocan-2-yl] bis(8-methylnonyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

836.6424 Da
Monoisotopic Mass

17.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 837.64968 282.0
[M+Na]+ 859.63162 282.4
[M+NH4]+ 854.67622 283.6
[M+K]+ 875.60556 282.7
[M-H]- 835.63512 278.8
[M+Na-2H]- 857.61707 281.5
[M]+ 836.64185 281.6
[M]- 836.64295 281.6
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.