CID 146049784

2380053-98-3

Structural Information

Molecular Formula
C9H4BrFN2O3
SMILES
C1=C(C=C(C2=C1C(=O)C(=CN2)[N+](=O)[O-])F)Br
InChI
InChI=1S/C9H4BrFN2O3/c10-4-1-5-8(6(11)2-4)12-3-7(9(5)14)13(15)16/h1-3H,(H,12,14)
InChIKey
VZCXZFIUAARHMP-UHFFFAOYSA-N
Compound name
6-bromo-8-fluoro-3-nitro-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

285.93893 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.94621 148.6
[M+Na]+ 308.92815 161.6
[M-H]- 284.93165 152.9
[M+NH4]+ 303.97275 166.7
[M+K]+ 324.90209 145.5
[M+H-H2O]+ 268.93619 151.4
[M+HCOO]- 330.93713 168.0
[M+CH3COO]- 344.95278 188.7
[M+Na-2H]- 306.91360 157.9
[M]+ 285.93838 165.2
[M]- 285.93948 165.2
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