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

52
Patents

190.92181 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.929086 131.9
[M+Na]+ 213.911028 144.2
[M-H]- 189.914534 139.4
[M+NH4]+ 208.955633 154.7
[M+K]+ 229.884968 132.2
[M+H-H2O]+ 173.919070 136.7
[M+HCOO]- 235.920011 156.5
[M+CH3COO]- 249.935661 172.1
[M+Na-2H]- 211.896476 142.1
[M]+ 190.92126142 150.9
[M]- 190.92235858 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