CID 75234

Phosphonic acid, phenyl-, dimethyl ester

Structural Information

Molecular Formula
C8H11O3P
SMILES
COP(=O)(C1=CC=CC=C1)OC
InChI
InChI=1S/C8H11O3P/c1-10-12(9,11-2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey
OXDOANYFRLHSML-UHFFFAOYSA-N
Compound name
dimethoxyphosphorylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4498
Patents

186.04459 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05187 139.0
[M+Na]+ 209.03381 146.9
[M-H]- 185.03731 141.7
[M+NH4]+ 204.07841 159.4
[M+K]+ 225.00775 146.5
[M+H-H2O]+ 169.04185 131.3
[M+HCOO]- 231.04279 168.3
[M+CH3COO]- 245.05844 180.9
[M+Na-2H]- 207.01926 144.6
[M]+ 186.04404 143.2
[M]- 186.04514 143.2
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.