CID 62550

Refchem:588836

Structural Information

Molecular Formula
C12H11O3P
SMILES
C1=CC=C(C=C1)OP(=O)OC2=CC=CC=C2
InChI
InChI=1S/C12H11O3P/c13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10,16H
InChIKey
OGBPILLJZSJJRC-UHFFFAOYSA-N
Compound name
phenoxyphosphonoyloxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

0
Patents

234.04459 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05187 150.0
[M+Na]+ 257.03381 156.5
[M-H]- 233.03731 155.3
[M+NH4]+ 252.07841 167.5
[M+K]+ 273.00775 154.6
[M+H-H2O]+ 217.04185 140.0
[M+HCOO]- 279.04279 179.8
[M+CH3COO]- 293.05844 189.2
[M+Na-2H]- 255.01926 153.5
[M]+ 234.04404 152.3
[M]- 234.04514 152.3
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.