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]+ 266.976376 148.3
[M+Na]+ 288.958318 159.7
[M-H]- 264.961824 154.4
[M+NH4]+ 284.002923 167.6
[M+K]+ 304.932258 144.8
[M+H-H2O]+ 248.966360 151.6
[M+HCOO]- 310.967301 169.6
[M+CH3COO]- 324.982951 188.3
[M+Na-2H]- 286.943766 159.3
[M]+ 265.96855142 166.7
[M]- 265.96964858 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.