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

4
Patents

205.99425 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.001526 137.0
[M+Na]+ 228.983468 146.6
[M-H]- 204.986974 143.2
[M+NH4]+ 224.028073 158.2
[M+K]+ 244.957408 138.0
[M+H-H2O]+ 188.991510 137.5
[M+HCOO]- 250.992451 155.2
[M+CH3COO]- 265.008101 181.3
[M+Na-2H]- 226.968916 144.5
[M]+ 205.99370142 153.7
[M]- 205.99479858 153.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe