CID 10942831

4-chloro-5,6,7,8-tetrahydroquinoline

Structural Information

Molecular Formula
C9H10ClN
SMILES
C1CCC2=NC=CC(=C2C1)Cl
InChI
InChI=1S/C9H10ClN/c10-8-5-6-11-9-4-2-1-3-7(8)9/h5-6H,1-4H2
InChIKey
PAEQYSUYGGYPRU-UHFFFAOYSA-N
Compound name
4-chloro-5,6,7,8-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

167.05017 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.05745 131.5
[M+Na]+ 190.03939 140.1
[M-H]- 166.04289 134.1
[M+NH4]+ 185.08399 152.7
[M+K]+ 206.01333 135.8
[M+H-H2O]+ 150.04743 125.7
[M+HCOO]- 212.04837 147.2
[M+CH3COO]- 226.06402 144.8
[M+Na-2H]- 188.02484 139.8
[M]+ 167.04962 130.1
[M]- 167.05072 130.1
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