CID 85147

15862-34-7

Structural Information

Molecular Formula
C5H3BrN2O3
SMILES
C1=C(C(=O)NC=C1Br)[N+](=O)[O-]
InChI
InChI=1S/C5H3BrN2O3/c6-3-1-4(8(10)11)5(9)7-2-3/h1-2H,(H,7,9)
InChIKey
WXRLCVUDLFFTFF-UHFFFAOYSA-N
Compound name
5-bromo-3-nitro-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

441
Patents

217.9327 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.93998 131.3
[M+Na]+ 240.92192 143.7
[M-H]- 216.92542 135.9
[M+NH4]+ 235.96652 150.9
[M+K]+ 256.89586 128.9
[M+H-H2O]+ 200.92996 135.4
[M+HCOO]- 262.93090 153.5
[M+CH3COO]- 276.94655 174.8
[M+Na-2H]- 238.90737 141.7
[M]+ 217.93215 148.1
[M]- 217.93325 148.1
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