CID 166359

Einecs 277-036-0

Structural Information

Molecular Formula
C18H11Cl2N5O4
SMILES
C1=CC(=CC=C1NC2=CC=C(C=C2)[N+](=O)[O-])N=NC3=C(C=C(C=C3Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C18H11Cl2N5O4/c19-16-9-15(25(28)29)10-17(20)18(16)23-22-13-3-1-11(2-4-13)21-12-5-7-14(8-6-12)24(26)27/h1-10,21H
InChIKey
HGNCUZYSZRALIC-UHFFFAOYSA-N
Compound name
4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-(4-nitrophenyl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

431.0188 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.02608 202.6
[M+Na]+ 454.00802 206.3
[M-H]- 430.01152 212.2
[M+NH4]+ 449.05262 210.6
[M+K]+ 469.98196 193.7
[M+H-H2O]+ 414.01606 201.6
[M+HCOO]- 476.01700 223.0
[M+CH3COO]- 490.03265 224.4
[M+Na-2H]- 451.99347 209.1
[M]+ 431.01825 203.9
[M]- 431.01935 203.9
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.