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]+ 213.042526 140.8
[M+Na]+ 235.024468 148.0
[M-H]- 211.027974 142.1
[M+NH4]+ 230.069073 158.5
[M+K]+ 250.998408 139.5
[M+H-H2O]+ 195.032510 139.9
[M+HCOO]- 257.033451 156.1
[M+CH3COO]- 271.049101 176.8
[M+Na-2H]- 233.009916 148.9
[M]+ 212.03470142 137.0
[M]- 212.03579858 137.0
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.