CID 82027

Diphenyl methylphosphonate

Structural Information

Molecular Formula
C13H13O3P
SMILES
CP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C13H13O3P/c1-17(14,15-12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2-11H,1H3
InChIKey
HPUPGAFDTWIMBR-UHFFFAOYSA-N
Compound name
[methyl(phenoxy)phosphoryl]oxybenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

2866
Patents

248.06023 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.06751 155.5
[M+Na]+ 271.04945 162.3
[M-H]- 247.05295 160.9
[M+NH4]+ 266.09405 172.6
[M+K]+ 287.02339 160.1
[M+H-H2O]+ 231.05749 145.8
[M+HCOO]- 293.05843 184.4
[M+CH3COO]- 307.07408 191.7
[M+Na-2H]- 269.03490 160.6
[M]+ 248.05968 158.3
[M]- 248.06078 158.3
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.