CID 135611775

Brn 4825876

Structural Information

Molecular Formula
C21H17Cl2N2O3P
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)CP(=O)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C21H17Cl2N2O3P/c22-16-5-9-18(10-6-16)29(28,19-11-7-17(23)8-12-19)14-21(27)25-24-13-15-3-1-2-4-20(15)26/h1-13,26H,14H2,(H,25,27)/b24-13+
InChIKey
KJMYPXQAAVVUNX-ZMOGYAJESA-N
Compound name
2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.03537 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.04265 200.7
[M+Na]+ 469.02459 207.8
[M-H]- 445.02809 208.7
[M+NH4]+ 464.06919 210.8
[M+K]+ 484.99853 200.6
[M+H-H2O]+ 429.03263 190.2
[M+HCOO]- 491.03357 219.9
[M+CH3COO]- 505.04922 230.5
[M+Na-2H]- 467.01004 201.1
[M]+ 446.03482 205.2
[M]- 446.03592 205.2
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.