CID 6438461

1-(5-bromofur-2-il)-2-bromo-2-nitroethene

Structural Information

Molecular Formula
C6H3Br2NO3
SMILES
C1=C(OC(=C1)Br)/C=C(\[N+](=O)[O-])/Br
InChI
InChI=1S/C6H3Br2NO3/c7-5(9(10)11)3-4-1-2-6(8)12-4/h1-3H/b5-3-
InChIKey
MJPPGVVIDGQOQT-HYXAFXHYSA-N
Compound name
2-bromo-5-[(E)-2-bromo-2-nitroethenyl]furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

294.84796 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.85524 152.2
[M+Na]+ 317.83718 162.8
[M-H]- 293.84068 159.6
[M+NH4]+ 312.88178 171.0
[M+K]+ 333.81112 145.6
[M+H-H2O]+ 277.84522 162.8
[M+HCOO]- 339.84616 169.5
[M+CH3COO]- 353.86181 195.9
[M+Na-2H]- 315.82263 158.9
[M]+ 294.84741 186.3
[M]- 294.84851 186.3
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