CID 119056820

2-bromo-1-(oxolan-3-yl)propan-1-one

Structural Information

Molecular Formula
C7H11BrO2
SMILES
CC(C(=O)C1CCOC1)Br
InChI
InChI=1S/C7H11BrO2/c1-5(8)7(9)6-2-3-10-4-6/h5-6H,2-4H2,1H3
InChIKey
YLFMZSUTWBEEQN-UHFFFAOYSA-N
Compound name
2-bromo-1-(oxolan-3-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.99425 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.00153 139.9
[M+Na]+ 228.98347 140.1
[M+NH4]+ 224.02807 144.3
[M+K]+ 244.95741 143.3
[M-H]- 204.98697 140.0
[M+Na-2H]- 226.96892 140.1
[M]+ 205.99370 138.5
[M]- 205.99480 138.5
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

No patent data available for this compound.