CID 135611774

Brn 4827324

Structural Information

Molecular Formula
C21H17Cl2N2O4P
SMILES
C1=CC(=CC=C1P(=O)(CC(=O)N/N=C/C2=C(C=C(C=C2)O)O)C3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C21H17Cl2N2O4P/c22-15-2-7-18(8-3-15)30(29,19-9-4-16(23)5-10-19)13-21(28)25-24-12-14-1-6-17(26)11-20(14)27/h1-12,26-27H,13H2,(H,25,28)/b24-12+
InChIKey
HSVDKCNYRIMNOT-WYMPLXKRSA-N
Compound name
2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.0303 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.03758 202.6
[M+Na]+ 485.01952 209.8
[M-H]- 461.02302 209.7
[M+NH4]+ 480.06412 211.5
[M+K]+ 500.99346 202.9
[M+H-H2O]+ 445.02756 192.6
[M+HCOO]- 507.02850 220.5
[M+CH3COO]- 521.04415 231.8
[M+Na-2H]- 483.00497 202.3
[M]+ 462.02975 207.1
[M]- 462.03085 207.1
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.