CID 3072533

143000-14-0

Structural Information

Molecular Formula
C13H10NO3P
SMILES
C1=CC=C(C=C1)P2(=O)NC(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C13H10NO3P/c15-13-11-8-4-5-9-12(11)17-18(16,14-13)10-6-2-1-3-7-10/h1-9H,(H,14,15,16)
InChIKey
PJGVPJYOAJGEDM-UHFFFAOYSA-N
Compound name
2-oxo-2-phenyl-3H-1,3,2lambda5-benzoxazaphosphinin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.03983 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.04711 156.2
[M+Na]+ 282.02905 164.7
[M-H]- 258.03255 160.8
[M+NH4]+ 277.07365 172.7
[M+K]+ 298.00299 161.6
[M+H-H2O]+ 242.03709 145.7
[M+HCOO]- 304.03803 180.0
[M+CH3COO]- 318.05368 191.0
[M+Na-2H]- 280.01450 161.3
[M]+ 259.03928 154.8
[M]- 259.04038 154.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.