CID 113139

2-[2-(4-dodecylphenoxy)ethoxy]ethyl dihydrogen phosphate

Structural Information

Molecular Formula
C22H39O6P
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)OCCOCCOP(=O)(O)O
InChI
InChI=1S/C22H39O6P/c1-2-3-4-5-6-7-8-9-10-11-12-21-13-15-22(16-14-21)27-19-17-26-18-20-28-29(23,24)25/h13-16H,2-12,17-20H2,1H3,(H2,23,24,25)
InChIKey
FYFRHNVOGWKKRC-UHFFFAOYSA-N
Compound name
2-[2-(4-dodecylphenoxy)ethoxy]ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

430.2484 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.25568 212.6
[M+Na]+ 453.23762 213.7
[M-H]- 429.24112 209.9
[M+NH4]+ 448.28222 221.3
[M+K]+ 469.21156 210.3
[M+H-H2O]+ 413.24566 201.7
[M+HCOO]- 475.24660 234.5
[M+CH3COO]- 489.26225 225.1
[M+Na-2H]- 451.22307 209.8
[M]+ 430.24785 222.4
[M]- 430.24895 222.4
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

No patent data available for this compound.