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

57
Patents

217.9327 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.939976 132.3
[M+Na]+ 240.921918 144.4
[M-H]- 216.925424 136.9
[M+NH4]+ 235.966523 152.0
[M+K]+ 256.895858 130.1
[M+H-H2O]+ 200.929960 136.3
[M+HCOO]- 262.930901 154.3
[M+CH3COO]- 276.946551 175.7
[M+Na-2H]- 238.907366 142.7
[M]+ 217.93215142 149.7
[M]- 217.93324858 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