CID 21495

9-chloro-1,2,3,4-tetrahydroacridine

Structural Information

Molecular Formula
C13H12ClN
SMILES
C1CCC2=NC3=CC=CC=C3C(=C2C1)Cl
InChI
InChI=1S/C13H12ClN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2
InChIKey
IYPJWKLHPNECFJ-UHFFFAOYSA-N
Compound name
9-chloro-1,2,3,4-tetrahydroacridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

125
Patents

217.06583 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.07311 144.4
[M+Na]+ 240.05505 161.3
[M+NH4]+ 235.09965 156.1
[M+K]+ 256.02899 151.2
[M-H]- 216.05855 149.1
[M+Na-2H]- 238.04050 152.7
[M]+ 217.06528 148.7
[M]- 217.06638 148.7
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