CID 14968966

6-(2-bromoethyl)oxan-2-one

Structural Information

Molecular Formula

C₇H₁₁BrO₂

SMILES

C1CC(OC(=O)C1)CCBr

InChI

InChI=1S/C7H11BrO2/c8-5-4-6-2-1-3-7(9)10-6/h6H,1-5H2

InChIKey

FHEQVWQLHIOUCE-UHFFFAOYSA-N

Compound name

6-(2-bromoethyl)oxan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 205.99425 Da
Monoisotopic Mass: 1.7
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]+	207.00153	136.1
[M+Na]+	228.98347	138.3
[M+NH4]+	224.02807	141.2
[M+K]+	244.95741	138.7
[M-H]-	204.98697	137.5
[M+Na-2H]-	226.96892	137.9
[M]+	205.99370	135.5
[M]-	205.99480	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe