CID 19708

Diphenyl n-phenylphosphoramidate

Structural Information

Molecular Formula
C18H16NO3P
SMILES
C1=CC=C(C=C1)NP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C18H16NO3P/c20-23(19-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H,(H,19,20)
InChIKey
FZNQHYXSPNEFAI-UHFFFAOYSA-N
Compound name
N-diphenoxyphosphorylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

33
Patents

325.0868 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.09408 174.7
[M+Na]+ 348.07602 179.4
[M-H]- 324.07952 182.5
[M+NH4]+ 343.12062 187.5
[M+K]+ 364.04996 175.6
[M+H-H2O]+ 308.08406 162.7
[M+HCOO]- 370.08500 203.9
[M+CH3COO]- 384.10065 207.7
[M+Na-2H]- 346.06147 179.9
[M]+ 325.08625 175.3
[M]- 325.08735 175.3
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