CID 9590199

2,4-dichlorobenzaldehyde (4-nitrophenyl)hydrazone

Structural Information

Molecular Formula
C13H9Cl2N3O2
SMILES
C1=CC(=CC=C1N/N=C/C2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C13H9Cl2N3O2/c14-10-2-1-9(13(15)7-10)8-16-17-11-3-5-12(6-4-11)18(19)20/h1-8,17H/b16-8+
InChIKey
BALCTZMWXPOBMA-LZYBPNLTSA-N
Compound name
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.00717 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.014446 168.6
[M+Na]+ 331.996388 176.1
[M-H]- 307.999894 175.4
[M+NH4]+ 327.040993 183.5
[M+K]+ 347.970328 166.4
[M+H-H2O]+ 292.004430 166.6
[M+HCOO]- 354.005371 187.9
[M+CH3COO]- 368.021021 202.7
[M+Na-2H]- 329.981836 175.0
[M]+ 309.00662142 170.5
[M]- 309.00771858 170.5
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.