CID 135629

4,9-dichloro-1-nitroacridine

Structural Information

Molecular Formula
C13H6Cl2N2O2
SMILES
C1=CC=C2C(=C1)C(=C3C(=CC=C(C3=N2)Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C13H6Cl2N2O2/c14-8-5-6-10(17(18)19)11-12(15)7-3-1-2-4-9(7)16-13(8)11/h1-6H
InChIKey
PZWVEESZPQOVPI-UHFFFAOYSA-N
Compound name
4,9-dichloro-1-nitroacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.98062 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.98790 157.8
[M+Na]+ 314.96984 169.3
[M-H]- 290.97334 161.5
[M+NH4]+ 310.01444 174.7
[M+K]+ 330.94378 159.1
[M+H-H2O]+ 274.97788 156.3
[M+HCOO]- 336.97882 171.7
[M+CH3COO]- 350.99447 195.4
[M+Na-2H]- 312.95529 167.6
[M]+ 291.98007 162.4
[M]- 291.98117 162.4
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.