CID 233582

2-bromo-5-nitrofuran

Structural Information

Molecular Formula
C4H2BrNO3
SMILES
C1=C(OC(=C1)Br)[N+](=O)[O-]
InChI
InChI=1S/C4H2BrNO3/c5-3-1-2-4(9-3)6(7)8/h1-2H
InChIKey
QGTDMAKRJHGXOF-UHFFFAOYSA-N
Compound name
2-bromo-5-nitrofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

190.92181 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.92909 131.9
[M+Na]+ 213.91103 144.2
[M-H]- 189.91453 139.4
[M+NH4]+ 208.95563 154.7
[M+K]+ 229.88497 132.2
[M+H-H2O]+ 173.91907 136.7
[M+HCOO]- 235.92001 156.5
[M+CH3COO]- 249.93566 172.1
[M+Na-2H]- 211.89648 142.1
[M]+ 190.92126 150.9
[M]- 190.92236 150.9
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