CID 18414212

4-bromo-2-nitropyridin-3-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

217.9327 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.93998 132.3
[M+Na]+ 240.92192 144.4
[M-H]- 216.92542 136.9
[M+NH4]+ 235.96652 152.0
[M+K]+ 256.89586 130.1
[M+H-H2O]+ 200.92996 136.3
[M+HCOO]- 262.93090 154.3
[M+CH3COO]- 276.94655 175.7
[M+Na-2H]- 238.90737 142.7
[M]+ 217.93215 149.7
[M]- 217.93325 149.7
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