CID 27281799

853908-50-6

Structural Information

Molecular Formula
C9H5BrN2O3
SMILES
C1=CC2=C(C=C1Br)C(=O)C(=CN2)[N+](=O)[O-]
InChI
InChI=1S/C9H5BrN2O3/c10-5-1-2-7-6(3-5)9(13)8(4-11-7)12(14)15/h1-4H,(H,11,13)
InChIKey
AMKJVYOALDEARM-UHFFFAOYSA-N
Compound name
6-bromo-3-nitro-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

219
Patents

267.94836 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.955636 145.1
[M+Na]+ 290.937578 157.4
[M-H]- 266.941084 150.5
[M+NH4]+ 285.982183 163.8
[M+K]+ 306.911518 141.7
[M+H-H2O]+ 250.945620 148.8
[M+HCOO]- 312.946561 165.7
[M+CH3COO]- 326.962211 185.0
[M+Na-2H]- 288.923026 155.8
[M]+ 267.94781142 162.5
[M]- 267.94890858 162.5
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