CID 3041913

Bis(hydroxyphenylmethyl)phosphinic acid methyl ester

Structural Information

Molecular Formula
C15H17O4P
SMILES
COP(=O)(C(C1=CC=CC=C1)O)C(C2=CC=CC=C2)O
InChI
InChI=1S/C15H17O4P/c1-19-20(18,14(16)12-8-4-2-5-9-12)15(17)13-10-6-3-7-11-13/h2-11,14-17H,1H3
InChIKey
WGIGVKVTKBBGQU-UHFFFAOYSA-N
Compound name
[[hydroxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.08646 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.09374 168.5
[M+Na]+ 315.07568 172.7
[M-H]- 291.07918 170.9
[M+NH4]+ 310.12028 182.1
[M+K]+ 331.04962 170.2
[M+H-H2O]+ 275.08372 159.0
[M+HCOO]- 337.08466 191.9
[M+CH3COO]- 351.10031 196.4
[M+Na-2H]- 313.06113 169.4
[M]+ 292.08591 168.4
[M]- 292.08701 168.4
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.