CID 70701224

2,4-dichloro-5,6,7,8-tetrahydroquinoline

Structural Information

Molecular Formula
C9H9Cl2N
SMILES
C1CCC2=C(C1)C(=CC(=N2)Cl)Cl
InChI
InChI=1S/C9H9Cl2N/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h5H,1-4H2
InChIKey
VGKOBWWSTKFWJJ-UHFFFAOYSA-N
Compound name
2,4-dichloro-5,6,7,8-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

201.0112 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.01848 137.6
[M+Na]+ 224.00042 147.3
[M-H]- 200.00392 139.6
[M+NH4]+ 219.04502 157.9
[M+K]+ 239.97436 141.8
[M+H-H2O]+ 184.00846 132.5
[M+HCOO]- 246.00940 148.0
[M+CH3COO]- 260.02505 150.3
[M+Na-2H]- 221.98587 144.3
[M]+ 201.01065 137.6
[M]- 201.01175 137.6
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