CID 31757

Acridine, 9-amino-4-chloro-

Structural Information

Molecular Formula
C13H9ClN2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)Cl)N
InChI
InChI=1S/C13H9ClN2/c14-10-6-3-5-9-12(15)8-4-1-2-7-11(8)16-13(9)10/h1-7H,(H2,15,16)
InChIKey
NSXDSAVBBBKTAM-UHFFFAOYSA-N
Compound name
4-chloroacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

228.04543 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.05271 145.7
[M+Na]+ 251.03465 158.1
[M-H]- 227.03815 150.1
[M+NH4]+ 246.07925 165.5
[M+K]+ 267.00859 151.2
[M+H-H2O]+ 211.04269 139.2
[M+HCOO]- 273.04363 164.5
[M+CH3COO]- 287.05928 159.4
[M+Na-2H]- 249.02010 156.0
[M]+ 228.04488 148.2
[M]- 228.04598 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe