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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.00153 137.0
[M+Na]+ 228.98347 146.6
[M-H]- 204.98697 143.2
[M+NH4]+ 224.02807 158.2
[M+K]+ 244.95741 138.0
[M+H-H2O]+ 188.99151 137.5
[M+HCOO]- 250.99245 155.2
[M+CH3COO]- 265.00810 181.3
[M+Na-2H]- 226.96892 144.5
[M]+ 205.99370 153.7
[M]- 205.99480 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