CID 74836

Diphenyl phosphoramidate

Structural Information

Molecular Formula
C12H12NO3P
SMILES
C1=CC=C(C=C1)OP(=O)(N)OC2=CC=CC=C2
InChI
InChI=1S/C12H12NO3P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H2,13,14)
InChIKey
QWMUDOFWQWBHFI-UHFFFAOYSA-N
Compound name
[amino(phenoxy)phosphoryl]oxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

5790
Patents

249.05548 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.06276 154.4
[M+Na]+ 272.04470 160.7
[M-H]- 248.04820 159.4
[M+NH4]+ 267.08930 170.9
[M+K]+ 288.01864 158.4
[M+H-H2O]+ 232.05274 144.6
[M+HCOO]- 294.05368 184.0
[M+CH3COO]- 308.06933 193.0
[M+Na-2H]- 270.03015 159.5
[M]+ 249.05493 155.1
[M]- 249.05603 155.1
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