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

140
Patents

217.06583 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.073106 144.4
[M+Na]+ 240.055048 153.6
[M-H]- 216.058554 147.8
[M+NH4]+ 235.099653 164.6
[M+K]+ 256.028988 147.6
[M+H-H2O]+ 200.063090 137.6
[M+HCOO]- 262.064031 158.5
[M+CH3COO]- 276.079681 156.9
[M+Na-2H]- 238.040496 152.8
[M]+ 217.06528142 143.6
[M]- 217.06637858 143.6
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