CID 108538

61222-49-9

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

0
Patents

300.14905 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.15633 176.3
[M+Na]+ 323.13827 180.2
[M-H]- 299.14177 176.2
[M+NH4]+ 318.18287 191.0
[M+K]+ 339.11221 178.3
[M+H-H2O]+ 283.14631 167.1
[M+HCOO]- 345.14725 200.8
[M+CH3COO]- 359.16290 202.2
[M+Na-2H]- 321.12372 176.4
[M]+ 300.14850 181.7
[M]- 300.14960 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