CID 108538

Phosphonic acid, p-(hydroxyphenylmethyl)-, dibutyl ester

Structural Information

Molecular Formula
C15H25O4P
SMILES
CCCCOP(=O)(C(C1=CC=CC=C1)O)OCCCC
InChI
InChI=1S/C15H25O4P/c1-3-5-12-18-20(17,19-13-6-4-2)15(16)14-10-8-7-9-11-14/h7-11,15-16H,3-6,12-13H2,1-2H3
InChIKey
WXXIFQYVXITZBX-UHFFFAOYSA-N
Compound name
dibutoxyphosphoryl(phenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

300.14905 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.156326 176.3
[M+Na]+ 323.138268 180.2
[M-H]- 299.141774 176.2
[M+NH4]+ 318.182873 191.0
[M+K]+ 339.112208 178.3
[M+H-H2O]+ 283.146310 167.1
[M+HCOO]- 345.147251 200.8
[M+CH3COO]- 359.162901 202.2
[M+Na-2H]- 321.123716 176.4
[M]+ 300.14850142 181.7
[M]- 300.14959858 181.7
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