CID 3072534

143000-15-1

Structural Information

Molecular Formula
C14H12NO3P
SMILES
CN1C(=O)C2=CC=CC=C2OP1(=O)C3=CC=CC=C3
InChI
InChI=1S/C14H12NO3P/c1-15-14(16)12-9-5-6-10-13(12)18-19(15,17)11-7-3-2-4-8-11/h2-10H,1H3
InChIKey
QFDMPTPJWCCHIN-UHFFFAOYSA-N
Compound name
3-methyl-2-oxo-2-phenyl-1,3,2lambda5-benzoxazaphosphinin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.05548 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06276 159.6
[M+Na]+ 296.04470 169.1
[M-H]- 272.04820 165.8
[M+NH4]+ 291.08930 176.5
[M+K]+ 312.01864 166.7
[M+H-H2O]+ 256.05274 148.8
[M+HCOO]- 318.05368 184.6
[M+CH3COO]- 332.06933 197.7
[M+Na-2H]- 294.03015 164.1
[M]+ 273.05493 160.8
[M]- 273.05603 160.8
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.