CID 175686375

2-(2-butoxyethoxy)ethyl phenyl hydrogen phosphate

Structural Information

Molecular Formula
C14H23O6P
SMILES
CCCCOCCOCCOP(=O)(O)OC1=CC=CC=C1
InChI
InChI=1S/C14H23O6P/c1-2-3-9-17-10-11-18-12-13-19-21(15,16)20-14-7-5-4-6-8-14/h4-8H,2-3,9-13H2,1H3,(H,15,16)
InChIKey
ZXQHLELQQMWOES-UHFFFAOYSA-N
Compound name
2-(2-butoxyethoxy)ethyl phenyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.12323 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.13051 175.7
[M+Na]+ 341.11245 179.9
[M-H]- 317.11595 175.6
[M+NH4]+ 336.15705 189.5
[M+K]+ 357.08639 179.0
[M+H-H2O]+ 301.12049 166.0
[M+HCOO]- 363.12143 201.9
[M+CH3COO]- 377.13708 202.6
[M+Na-2H]- 339.09790 178.1
[M]+ 318.12268 184.2
[M]- 318.12378 184.2
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.