CID 719824

2-(bromomethyl)-5-nitrofuran

Structural Information

Molecular Formula
C5H4BrNO3
SMILES
C1=C(OC(=C1)[N+](=O)[O-])CBr
InChI
InChI=1S/C5H4BrNO3/c6-3-4-1-2-5(10-4)7(8)9/h1-2H,3H2
InChIKey
CPZOCLCUJQJRBN-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-5-nitrofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
Patents

204.93745 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.944726 136.8
[M+Na]+ 227.926668 148.8
[M-H]- 203.930174 144.2
[M+NH4]+ 222.971273 159.1
[M+K]+ 243.900608 136.5
[M+H-H2O]+ 187.934710 141.4
[M+HCOO]- 249.935651 161.1
[M+CH3COO]- 263.951301 175.0
[M+Na-2H]- 225.912116 146.5
[M]+ 204.93690142 156.2
[M]- 204.93799858 156.2
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