CID 13152198

8-(bromomethyl)-5-nitroquinoline

Structural Information

Molecular Formula
C10H7BrN2O2
SMILES
C1=CC2=C(C=CC(=C2N=C1)CBr)[N+](=O)[O-]
InChI
InChI=1S/C10H7BrN2O2/c11-6-7-3-4-9(13(14)15)8-2-1-5-12-10(7)8/h1-5H,6H2
InChIKey
LAKZXAOBUMEYGY-UHFFFAOYSA-N
Compound name
8-(bromomethyl)-5-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.9691 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.97638 148.3
[M+Na]+ 288.95832 159.7
[M-H]- 264.96182 154.4
[M+NH4]+ 284.00292 167.6
[M+K]+ 304.93226 144.8
[M+H-H2O]+ 248.96636 151.6
[M+HCOO]- 310.96730 169.6
[M+CH3COO]- 324.98295 188.3
[M+Na-2H]- 286.94377 159.3
[M]+ 265.96855 166.7
[M]- 265.96965 166.7
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

No patent data available for this compound.