CID 75356444

2-bromo-1-(oxan-3-yl)ethan-1-one

Structural Information

Molecular Formula
C7H11BrO2
SMILES
C1CC(COC1)C(=O)CBr
InChI
InChI=1S/C7H11BrO2/c8-4-7(9)6-2-1-3-10-5-6/h6H,1-5H2
InChIKey
UTAFXIDNWNMWQF-UHFFFAOYSA-N
Compound name
2-bromo-1-(oxan-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

205.99425 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.00153 138.4
[M+Na]+ 228.98347 146.8
[M-H]- 204.98697 144.3
[M+NH4]+ 224.02807 159.2
[M+K]+ 244.95741 138.6
[M+H-H2O]+ 188.99151 138.8
[M+HCOO]- 250.99245 155.6
[M+CH3COO]- 265.00810 181.0
[M+Na-2H]- 226.96892 145.2
[M]+ 205.99370 154.1
[M]- 205.99480 154.1
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