CID 9589118

Brn 4824663

Structural Information

Molecular Formula
C23H19Cl2N2O2P
SMILES
C1=CC=C(C=C1)/C=C/C=N/NC(=O)CP(=O)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H19Cl2N2O2P/c24-19-8-12-21(13-9-19)30(29,22-14-10-20(25)11-15-22)17-23(28)27-26-16-4-7-18-5-2-1-3-6-18/h1-16H,17H2,(H,27,28)/b7-4+,26-16+
InChIKey
JPQFGJNFAAOUSX-SFQXQNPXSA-N
Compound name
2-bis(4-chlorophenyl)phosphoryl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.05612 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.06340 207.4
[M+Na]+ 479.04534 213.8
[M-H]- 455.04884 215.9
[M+NH4]+ 474.08994 217.5
[M+K]+ 495.01928 205.3
[M+H-H2O]+ 439.05338 196.0
[M+HCOO]- 501.05432 227.3
[M+CH3COO]- 515.06997 233.7
[M+Na-2H]- 477.03079 207.4
[M]+ 456.05557 211.8
[M]- 456.05667 211.8
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.