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]+ 338.009376 174.8
[M+Na]+ 359.991318 181.8
[M-H]- 335.994824 181.7
[M+NH4]+ 355.035923 188.5
[M+K]+ 375.965258 172.4
[M+H-H2O]+ 319.999360 172.7
[M+HCOO]- 382.000301 193.3
[M+CH3COO]- 396.015951 206.8
[M+Na-2H]- 357.976766 179.8
[M]+ 337.00155142 177.1
[M]- 337.00264858 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.