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
2
Annotation Hits

0
References

812
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 202.4
[M+Na]+ 421.23257 204.4
[M-H]- 397.23607 191.8
[M+NH4]+ 416.27717 200.6
[M+K]+ 437.20651 198.2
[M+H-H2O]+ 381.24061 194.0
[M+HCOO]- 443.24155 216.7
[M+CH3COO]- 457.25720 218.5
[M+Na-2H]- 419.21802 187.6
[M]+ 398.24280 200.5
[M]- 398.24390 200.5
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