CID 76448

Diphenyl phenylphosphonate

Structural Information

Molecular Formula
C18H15O3P
SMILES
C1=CC=C(C=C1)OP(=O)(C2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C18H15O3P/c19-22(18-14-8-3-9-15-18,20-16-10-4-1-5-11-16)21-17-12-6-2-7-13-17/h1-15H
InChIKey
CDOMXXVCZQOOMT-UHFFFAOYSA-N
Compound name
[phenoxy(phenyl)phosphoryl]oxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2234
Patents

310.07587 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.08315 172.5
[M+Na]+ 333.06509 178.1
[M-H]- 309.06859 180.4
[M+NH4]+ 328.10969 186.2
[M+K]+ 349.03903 174.4
[M+H-H2O]+ 293.07313 160.8
[M+HCOO]- 355.07407 200.6
[M+CH3COO]- 369.08972 202.8
[M+Na-2H]- 331.05054 177.0
[M]+ 310.07532 173.7
[M]- 310.07642 173.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe