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]+ 310.01445 168.6
[M+Na]+ 331.99639 176.1
[M-H]- 307.99989 175.4
[M+NH4]+ 327.04099 183.5
[M+K]+ 347.97033 166.4
[M+H-H2O]+ 292.00443 166.6
[M+HCOO]- 354.00537 187.9
[M+CH3COO]- 368.02102 202.7
[M+Na-2H]- 329.98184 175.0
[M]+ 309.00662 170.5
[M]- 309.00772 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.