CID 5332275

N'-(2,4-dichlorobenzylidene)-3-nitrobenzohydrazide

Structural Information

Molecular Formula
C14H9Cl2N3O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N/N=C/C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H9Cl2N3O3/c15-11-5-4-10(13(16)7-11)8-17-18-14(20)9-2-1-3-12(6-9)19(21)22/h1-8H,(H,18,20)/b17-8+
InChIKey
KWIKGAAXPCUUIH-CAOOACKPSA-N
Compound name
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.0021 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.00938 174.8
[M+Na]+ 359.99132 181.8
[M-H]- 335.99482 181.7
[M+NH4]+ 355.03592 188.5
[M+K]+ 375.96526 172.4
[M+H-H2O]+ 319.99936 172.7
[M+HCOO]- 382.00030 193.3
[M+CH3COO]- 396.01595 206.8
[M+Na-2H]- 357.97677 179.8
[M]+ 337.00155 177.1
[M]- 337.00265 177.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.