CID 5775883

2-chlorobenzaldehyde (4-nitrophenyl)hydrazone

Structural Information

Molecular Formula
C13H10ClN3O2
SMILES
C1=CC=C(C(=C1)/C=N\NC2=CC=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C13H10ClN3O2/c14-13-4-2-1-3-10(13)9-15-16-11-5-7-12(8-6-11)17(18)19/h1-9,16H/b15-9-
InChIKey
VYNDYTODNXRKJN-DHDCSXOGSA-N
Compound name
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.04614 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.053416 159.7
[M+Na]+ 298.035358 166.4
[M-H]- 274.038864 167.3
[M+NH4]+ 293.079963 175.5
[M+K]+ 314.009298 157.6
[M+H-H2O]+ 258.043400 156.8
[M+HCOO]- 320.044341 184.3
[M+CH3COO]- 334.059991 197.2
[M+Na-2H]- 296.020806 168.0
[M]+ 275.04559142 159.9
[M]- 275.04668858 159.9
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.