CID 13703972

1-bromo-1-nitrocyclobutane

Structural Information

Molecular Formula

C₄H₆BrNO₂

SMILES

C1CC(C1)([N+](=O)[O-])Br

InChI

InChI=1S/C4H6BrNO2/c5-4(6(7)8)2-1-3-4/h1-3H2

InChIKey

HVPMGMYXQOVLBD-UHFFFAOYSA-N

Compound name

1-bromo-1-nitrocyclobutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 178.95819 Da
Monoisotopic Mass: 1.6
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]+	179.96547	120.2
[M+Na]+	201.94741	129.6
[M-H]-	177.95091	126.7
[M+NH4]+	196.99201	138.7
[M+K]+	217.92135	120.2
[M+H-H2O]+	161.95545	121.3
[M+HCOO]-	223.95639	141.9
[M+CH3COO]-	237.97204	175.0
[M+Na-2H]-	199.93286	131.1
[M]+	178.95764	144.1
[M]-	178.95874	144.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.