CID 14993941

2-(2-bromo-2-nitroethenyl)furan

Structural Information

Molecular Formula

C₆H₄BrNO₃

SMILES

C1=COC(=C1)/C=C(/[N+](=O)[O-])\Br

InChI

InChI=1S/C6H4BrNO3/c7-6(8(9)10)4-5-2-1-3-11-5/h1-4H/b6-4+

InChIKey

MWBCFEHXWNHTDU-GQCTYLIASA-N

Compound name

2-[(Z)-2-bromo-2-nitroethenyl]furan

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 248
Patents: 216.93745 Da
Monoisotopic Mass: 2.5
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]+	217.944726	141.8
[M+Na]+	239.926668	152.6
[M-H]-	215.930174	148.8
[M+NH4]+	234.971273	163.3
[M+K]+	255.900608	139.9
[M+H-H2O]+	199.934710	146.1
[M+HCOO]-	261.935651	165.0
[M+CH3COO]-	275.951301	175.9
[M+Na-2H]-	237.912116	150.3
[M]+	216.93690142	159.8
[M]-	216.93799858	159.8

Literature stripe

literature stripe

Patent stripe

patents stripe