CID 155821299

3-bromo-3ah,4h,6h,6ah-furo[3,4-d][1,2]oxazole

Structural Information

Molecular Formula

C₅H₆BrNO₂

SMILES

C1C2C(CO1)ON=C2Br

InChI

InChI=1S/C5H6BrNO2/c6-5-3-1-8-2-4(3)9-7-5/h3-4H,1-2H2

InChIKey

DXNUXSIPLOXHTP-UHFFFAOYSA-N

Compound name

3-bromo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,2]oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 190.95819 Da
Monoisotopic Mass: 0.7
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]+	191.965466	133.9
[M+Na]+	213.947408	146.5
[M-H]-	189.950914	141.1
[M+NH4]+	208.992013	157.7
[M+K]+	229.921348	139.9
[M+H-H2O]+	173.955450	135.5
[M+HCOO]-	235.956391	153.3
[M+CH3COO]-	249.972041	150.4
[M+Na-2H]-	211.932856	141.8
[M]+	190.95764142	153.2
[M]-	190.95873858	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe