CID 53978483

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

Structural Information

Molecular Formula
C9H10ClN
SMILES
C1C(CNC2=CC=CC=C21)Cl
InChI
InChI=1S/C9H10ClN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-4,8,11H,5-6H2
InChIKey
JUSNBALOEULODC-UHFFFAOYSA-N
Compound name
3-chloro-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

167.05017 Da
Monoisotopic Mass

2.6
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

No literature data available for this compound.

Patent stripe

patents stripe