CID 82482798

6-bromo-8-nitro-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C9H9BrN2O2
SMILES
C1CC2=C(C(=CC(=C2)Br)[N+](=O)[O-])NC1
InChI
InChI=1S/C9H9BrN2O2/c10-7-4-6-2-1-3-11-9(6)8(5-7)12(13)14/h4-5,11H,1-3H2
InChIKey
XXXRHKPJSMYORC-UHFFFAOYSA-N
Compound name
6-bromo-8-nitro-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

255.98474 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.99202 147.8
[M+Na]+ 278.97396 151.4
[M+NH4]+ 274.01856 152.9
[M+K]+ 294.94790 153.4
[M-H]- 254.97746 149.3
[M+Na-2H]- 276.95941 150.0
[M]+ 255.98419 147.4
[M]- 255.98529 147.4
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