CID 15709182

8-bromo-5-nitroquinoline

Structural Information

Molecular Formula
C9H5BrN2O2
SMILES
C1=CC2=C(C=CC(=C2N=C1)Br)[N+](=O)[O-]
InChI
InChI=1S/C9H5BrN2O2/c10-7-3-4-8(12(13)14)6-2-1-5-11-9(6)7/h1-5H
InChIKey
LEMUPVPKQOTZAE-UHFFFAOYSA-N
Compound name
8-bromo-5-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

42
Patents

251.95345 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.96073 143.4
[M+Na]+ 274.94267 155.3
[M-H]- 250.94617 149.8
[M+NH4]+ 269.98727 163.2
[M+K]+ 290.91661 140.6
[M+H-H2O]+ 234.95071 147.0
[M+HCOO]- 296.95165 165.1
[M+CH3COO]- 310.96730 185.5
[M+Na-2H]- 272.92812 155.0
[M]+ 251.95290 161.6
[M]- 251.95400 161.6
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