CID 9589121

Brn 4830716

Structural Information

Molecular Formula
C23H17Cl3N3O4P
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])/C=C(/C=N/NC(=O)CP(=O)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)\Cl
InChI
InChI=1S/C23H17Cl3N3O4P/c24-17-4-8-21(9-5-17)34(33,22-10-6-18(25)7-11-22)15-23(30)28-27-14-19(26)12-16-2-1-3-20(13-16)29(31)32/h1-14H,15H2,(H,28,30)/b19-12-,27-14+
InChIKey
RCMPGLYNSBHECS-UJIBODLCSA-N
Compound name
2-bis(4-chlorophenyl)phosphoryl-N-[(E)-[(Z)-2-chloro-3-(3-nitrophenyl)prop-2-enylidene]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

535.0022 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.00948 219.8
[M+Na]+ 557.99142 223.3
[M-H]- 533.99492 226.9
[M+NH4]+ 553.03602 225.7
[M+K]+ 573.96536 213.0
[M+H-H2O]+ 517.99946 214.0
[M+HCOO]- 580.00040 233.9
[M+CH3COO]- 594.01605 239.8
[M+Na-2H]- 555.97687 219.9
[M]+ 535.00165 223.4
[M]- 535.00275 223.4
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.