CID 3072536

143000-20-8

Structural Information

Molecular Formula
C20H16NO3P
SMILES
C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3OP2(=O)C4=CC=CC=C4
InChI
InChI=1S/C20H16NO3P/c22-20-18-13-7-8-14-19(18)24-25(23,17-11-5-2-6-12-17)21(20)15-16-9-3-1-4-10-16/h1-14H,15H2
InChIKey
QMBPIVKSVZYZME-UHFFFAOYSA-N
Compound name
3-benzyl-2-oxo-2-phenyl-1,3,2lambda5-benzoxazaphosphinin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.0868 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.09408 183.0
[M+Na]+ 372.07602 190.8
[M-H]- 348.07952 191.4
[M+NH4]+ 367.12062 195.8
[M+K]+ 388.04996 186.7
[M+H-H2O]+ 332.08406 169.4
[M+HCOO]- 394.08500 206.7
[M+CH3COO]- 408.10065 193.4
[M+Na-2H]- 370.06147 185.7
[M]+ 349.08625 182.8
[M]- 349.08735 182.8
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.