CID 13591066

6,8-dichloro-1,2,3,4-tetrahydroquinoline hydrochloride

Structural Information

Molecular Formula
C9H9Cl2N
SMILES
C1CC2=C(C(=CC(=C2)Cl)Cl)NC1
InChI
InChI=1S/C9H9Cl2N/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h4-5,12H,1-3H2
InChIKey
VJRWWRSKYXMFKO-UHFFFAOYSA-N
Compound name
6,8-dichloro-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

201.0112 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.018476 137.8
[M+Na]+ 224.000418 147.1
[M-H]- 200.003924 138.5
[M+NH4]+ 219.045023 157.5
[M+K]+ 239.974358 140.7
[M+H-H2O]+ 184.008460 133.1
[M+HCOO]- 246.009401 146.8
[M+CH3COO]- 260.025051 149.8
[M+Na-2H]- 221.985866 144.0
[M]+ 201.01065142 136.0
[M]- 201.01174858 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