CID 175685694

4-(4-hydroxybutoxy)butyl phenyl hydrogen phosphate

Structural Information

Molecular Formula
C14H23O6P
SMILES
C1=CC=C(C=C1)OP(=O)(O)OCCCCOCCCCO
InChI
InChI=1S/C14H23O6P/c15-10-4-5-11-18-12-6-7-13-19-21(16,17)20-14-8-2-1-3-9-14/h1-3,8-9,15H,4-7,10-13H2,(H,16,17)
InChIKey
PVAHESLULISIHR-UHFFFAOYSA-N
Compound name
4-(4-hydroxybutoxy)butyl 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 176.2
[M+Na]+ 341.11245 180.0
[M-H]- 317.11595 174.7
[M+NH4]+ 336.15705 189.3
[M+K]+ 357.08639 178.2
[M+H-H2O]+ 301.12049 166.8
[M+HCOO]- 363.12143 200.9
[M+CH3COO]- 377.13708 200.1
[M+Na-2H]- 339.09790 178.2
[M]+ 318.12268 182.8
[M]- 318.12378 182.8
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.