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

139
Patents

204.93745 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.94473 139.6
[M+Na]+ 227.92667 142.4
[M+NH4]+ 222.97127 144.2
[M+K]+ 243.90061 146.9
[M-H]- 203.93017 141.4
[M+Na-2H]- 225.91212 141.2
[M]+ 204.93690 139.2
[M]- 204.93800 139.2
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

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