CID 16244392

5,7-dichloro-1,2,3,4-tetrahydroquinoline hydrochloride

Structural Information

Molecular Formula
C9H9Cl2N
SMILES
C1CC2=C(C=C(C=C2Cl)Cl)NC1
InChI
InChI=1S/C9H9Cl2N/c10-6-4-8(11)7-2-1-3-12-9(7)5-6/h4-5,12H,1-3H2
InChIKey
GLNUVOZWZUUKNT-UHFFFAOYSA-N
Compound name
5,7-dichloro-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

201.0112 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.01848 137.8
[M+Na]+ 224.00042 147.1
[M-H]- 200.00392 138.5
[M+NH4]+ 219.04502 157.5
[M+K]+ 239.97436 140.7
[M+H-H2O]+ 184.00846 133.1
[M+HCOO]- 246.00940 146.8
[M+CH3COO]- 260.02505 149.8
[M+Na-2H]- 221.98587 144.0
[M]+ 201.01065 136.0
[M]- 201.01175 136.0
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