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

11
Patents

201.0112 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.018476 137.6
[M+Na]+ 224.000418 147.3
[M-H]- 200.003924 139.6
[M+NH4]+ 219.045023 157.9
[M+K]+ 239.974358 141.8
[M+H-H2O]+ 184.008460 132.5
[M+HCOO]- 246.009401 148.0
[M+CH3COO]- 260.025051 150.3
[M+Na-2H]- 221.985866 144.3
[M]+ 201.01065142 137.6
[M]- 201.01174858 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