CID 3006802

(4-bromophenyl)(5-nitro-2-furanyl)methanone

Structural Information

Molecular Formula
C11H6BrNO4
SMILES
C1=CC(=CC=C1C(=O)C2=CC=C(O2)[N+](=O)[O-])Br
InChI
InChI=1S/C11H6BrNO4/c12-8-3-1-7(2-4-8)11(14)9-5-6-10(17-9)13(15)16/h1-6H
InChIKey
XBOSZINISUFQNB-UHFFFAOYSA-N
Compound name
(4-bromophenyl)-(5-nitrofuran-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.94803 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.95531 159.5
[M+Na]+ 317.93725 170.1
[M-H]- 293.94075 169.8
[M+NH4]+ 312.98185 177.8
[M+K]+ 333.91119 157.0
[M+H-H2O]+ 277.94529 162.9
[M+HCOO]- 339.94623 182.5
[M+CH3COO]- 353.96188 190.6
[M+Na-2H]- 315.92270 166.5
[M]+ 294.94748 179.0
[M]- 294.94858 179.0
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

No patent data available for this compound.