CID 219664

6,9-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/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2
InChIKey
UPHWUTWIUIWUJB-UHFFFAOYSA-N
Compound name
6,9-dichloro-1,2,3,4-tetrahydroacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
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

literature stripe

Patent stripe

patents stripe