CID 53362680

8,9-dichloro-1,2,3,4-tetrahydroacridine

Structural Information

Molecular Formula
C13H11Cl2N
SMILES
C1CCC2=NC3=C(C(=CC=C3)Cl)C(=C2C1)Cl
InChI
InChI=1S/C13H11Cl2N/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h3,5,7H,1-2,4,6H2
InChIKey
NDSFDBQTHAIEPQ-UHFFFAOYSA-N
Compound name
8,9-dichloro-1,2,3,4-tetrahydroacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

251.02686 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.03414 150.8
[M+Na]+ 274.01608 161.2
[M-H]- 250.01958 153.7
[M+NH4]+ 269.06068 170.3
[M+K]+ 289.99002 154.2
[M+H-H2O]+ 234.02412 144.7
[M+HCOO]- 296.02506 159.7
[M+CH3COO]- 310.04071 162.7
[M+Na-2H]- 272.00153 157.6
[M]+ 251.02631 151.6
[M]- 251.02741 151.6
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