CID 512104

Phosphinecarboxylic acid, diphenoxy-, phenyl ester, oxide

Structural Information

Molecular Formula
C19H15O5P
SMILES
C1=CC=C(C=C1)OC(=O)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C19H15O5P/c20-19(22-16-10-4-1-5-11-16)25(21,23-17-12-6-2-7-13-17)24-18-14-8-3-9-15-18/h1-15H
InChIKey
BWTSONJQZUGZDC-UHFFFAOYSA-N
Compound name
phenyl diphenoxyphosphorylformate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

354.0657 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.07298 181.2
[M+Na]+ 377.05492 186.0
[M-H]- 353.05842 189.1
[M+NH4]+ 372.09952 192.9
[M+K]+ 393.02886 183.6
[M+H-H2O]+ 337.06296 169.1
[M+HCOO]- 399.06390 208.6
[M+CH3COO]- 413.07955 209.2
[M+Na-2H]- 375.04037 184.5
[M]+ 354.06515 184.2
[M]- 354.06625 184.2
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