CID 13219443

8-chloro-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C9H10ClN
SMILES
C1CC2=C(C(=CC=C2)Cl)NC1
InChI
InChI=1S/C9H10ClN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1,3,5,11H,2,4,6H2
InChIKey
NLSDMOYGCYVCFC-UHFFFAOYSA-N
Compound name
8-chloro-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

167.05017 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.057446 131.9
[M+Na]+ 190.039388 140.1
[M-H]- 166.042894 133.1
[M+NH4]+ 185.083993 152.4
[M+K]+ 206.013328 134.9
[M+H-H2O]+ 150.047430 126.5
[M+HCOO]- 212.048371 146.1
[M+CH3COO]- 226.064021 144.5
[M+Na-2H]- 188.024836 139.8
[M]+ 167.04962142 128.7
[M]- 167.05071858 128.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe