CID 71756637

8-chloro-5-nitro-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C9H9ClN2O2
SMILES
C1CC2=C(C=CC(=C2NC1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C9H9ClN2O2/c10-7-3-4-8(12(13)14)6-2-1-5-11-9(6)7/h3-4,11H,1-2,5H2
InChIKey
FRGXPNHJORJDMV-UHFFFAOYSA-N
Compound name
8-chloro-5-nitro-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.03525 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04253 138.7
[M+Na]+ 235.02447 153.2
[M+NH4]+ 230.06907 148.1
[M+K]+ 250.99841 148.6
[M-H]- 211.02797 142.2
[M+Na-2H]- 233.00992 144.8
[M]+ 212.03470 141.9
[M]- 212.03580 141.9
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

No patent data available for this compound.