CID 81905

Phosphonic acid, morpholino-, diphenyl ester

Structural Information

Molecular Formula
C16H18NO4P
SMILES
C1COCCN1P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C16H18NO4P/c18-22(17-11-13-19-14-12-17,20-15-7-3-1-4-8-15)21-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKey
YHQZCZRZUDDZTA-UHFFFAOYSA-N
Compound name
4-diphenoxyphosphorylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

114
Patents

319.09735 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.10463 173.0
[M+Na]+ 342.08657 176.4
[M-H]- 318.09007 179.4
[M+NH4]+ 337.13117 183.5
[M+K]+ 358.06051 175.2
[M+H-H2O]+ 302.09461 160.5
[M+HCOO]- 364.09555 195.6
[M+CH3COO]- 378.11120 202.7
[M+Na-2H]- 340.07202 176.7
[M]+ 319.09680 171.8
[M]- 319.09790 171.8
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