CID 31629

7-chloroacridin-2-amine

Structural Information

Molecular Formula
C13H9ClN2
SMILES
C1=CC2=NC3=C(C=C(C=C3)Cl)C=C2C=C1N
InChI
InChI=1S/C13H9ClN2/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)16-12/h1-7H,15H2
InChIKey
ZXXJLAKNTDVKRB-UHFFFAOYSA-N
Compound name
7-chloroacridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

228.04543 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.052706 145.7
[M+Na]+ 251.034648 158.1
[M-H]- 227.038154 150.1
[M+NH4]+ 246.079253 165.5
[M+K]+ 267.008588 151.2
[M+H-H2O]+ 211.042690 139.2
[M+HCOO]- 273.043631 164.5
[M+CH3COO]- 287.059281 159.4
[M+Na-2H]- 249.020096 156.0
[M]+ 228.04488142 148.2
[M]- 228.04597858 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

No literature data available for this compound.

Patent stripe

patents stripe