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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	295.85524	161.8
[M+Na]+	317.83718	155.8
[M+NH4]+	312.88178	163.0
[M+K]+	333.81112	164.7
[M-H]-	293.84068	162.8
[M+Na-2H]-	315.82263	160.8
[M]+	294.84741	160.0
[M]-	294.84851	160.0

Literature stripe

literature stripe

Patent stripe

patents stripe