CID 72941562

Steareth-2 phosphate

Structural Information

Molecular Formula
C22H47O6P
SMILES
CCCCCCCCCCCCCCCCCCOCCOCCOP(=O)(O)O
InChI
InChI=1S/C22H47O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-20-27-21-22-28-29(23,24)25/h2-22H2,1H3,(H2,23,24,25)
InChIKey
FHBWUDFPEANESE-UHFFFAOYSA-N
Compound name
2-(2-octadecoxyethoxy)ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

543
Patents

438.31104 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.31832 214.1
[M+Na]+ 461.30026 215.9
[M-H]- 437.30376 201.3
[M+NH4]+ 456.34486 211.4
[M+K]+ 477.27420 211.4
[M+H-H2O]+ 421.30830 204.3
[M+HCOO]- 483.30924 226.8
[M+CH3COO]- 497.32489 228.2
[M+Na-2H]- 459.28571 197.8
[M]+ 438.31049 211.7
[M]- 438.31159 211.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe