CID 131183475

1852147-44-4

Structural Information

Molecular Formula

C₈H₁₁BrO₂

SMILES

C1CC2C(CC1O2)C(=O)CBr

InChI

InChI=1S/C8H11BrO2/c9-4-7(10)6-3-5-1-2-8(6)11-5/h5-6,8H,1-4H2

InChIKey

LJHQTIFRHXOYMS-UHFFFAOYSA-N

Compound name

2-bromo-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 217.99425 Da
Monoisotopic Mass: 1.3
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]+	219.001526	148.3
[M+Na]+	240.983468	159.0
[M-H]-	216.986974	154.2
[M+NH4]+	236.028073	173.8
[M+K]+	256.957408	150.5
[M+H-H2O]+	200.991510	150.2
[M+HCOO]-	262.992451	166.2
[M+CH3COO]-	277.008101	184.1
[M+Na-2H]-	238.968916	152.7
[M]+	217.99370142	166.4
[M]-	217.99479858	166.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.