CID 104250

52598-24-0

Structural Information

Molecular Formula
C18H39O7P
SMILES
CCCCCCCCCCCCOCCOCCOCCOP(=O)(O)O
InChI
InChI=1S/C18H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-22-13-14-23-15-16-24-17-18-25-26(19,20)21/h2-18H2,1H3,(H2,19,20,21)
InChIKey
JQAGDVDTMKMJIR-UHFFFAOYSA-N
Compound name
2-[2-(2-dodecoxyethoxy)ethoxy]ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

810
Patents

398.24335 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.25063 199.1
[M+Na]+ 421.23257 207.3
[M+NH4]+ 416.27717 207.4
[M+K]+ 437.20651 203.9
[M-H]- 397.23607 194.4
[M+Na-2H]- 419.21802 195.5
[M]+ 398.24280 202.5
[M]- 398.24390 202.5
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