CID 9649066

4-(2-(3-nitrobenzoyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C21H13Cl2N3O5
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C21H13Cl2N3O5/c22-15-6-9-18(19(23)11-15)21(28)31-17-7-4-13(5-8-17)12-24-25-20(27)14-2-1-3-16(10-14)26(29)30/h1-12H,(H,25,27)/b24-12+
InChIKey
WHMYYVJJKYIHDA-WYMPLXKRSA-N
Compound name
[4-[(E)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.02322 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.03050 205.1
[M+Na]+ 480.01244 210.3
[M-H]- 456.01594 214.8
[M+NH4]+ 475.05704 213.2
[M+K]+ 495.98638 201.1
[M+H-H2O]+ 440.02048 200.6
[M+HCOO]- 502.02142 221.9
[M+CH3COO]- 516.03707 228.0
[M+Na-2H]- 477.99789 207.9
[M]+ 457.02267 209.4
[M]- 457.02377 209.4
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.