CID 9589119

Brn 4828413

Structural Information

Molecular Formula
C21H16Cl2N3O4P
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])/C=N/NC(=O)CP(=O)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H16Cl2N3O4P/c22-16-4-8-19(9-5-16)31(30,20-10-6-17(23)7-11-20)14-21(27)25-24-13-15-2-1-3-18(12-15)26(28)29/h1-13H,14H2,(H,25,27)/b24-13+
InChIKey
QTZPMXAUGOOTMX-ZMOGYAJESA-N
Compound name
2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.02554 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.03282 206.9
[M+Na]+ 498.01476 211.4
[M-H]- 474.01826 215.6
[M+NH4]+ 493.05936 215.0
[M+K]+ 513.98870 201.6
[M+H-H2O]+ 458.02280 200.3
[M+HCOO]- 520.02374 227.8
[M+CH3COO]- 534.03939 231.3
[M+Na-2H]- 496.00021 210.0
[M]+ 475.02499 210.3
[M]- 475.02609 210.3
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.