CID 10920841

2-bromo-1-cyclopropylethan-1-one

Structural Information

Molecular Formula
C5H7BrO
SMILES
C1CC1C(=O)CBr
InChI
InChI=1S/C5H7BrO/c6-3-5(7)4-1-2-4/h4H,1-3H2
InChIKey
WCCCDMWRBVVYCQ-UHFFFAOYSA-N
Compound name
2-bromo-1-cyclopropylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1358
Patents

161.96803 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.97531 127.2
[M+Na]+ 184.95725 140.3
[M-H]- 160.96075 134.6
[M+NH4]+ 180.00185 146.8
[M+K]+ 200.93119 130.0
[M+H-H2O]+ 144.96529 127.2
[M+HCOO]- 206.96623 148.7
[M+CH3COO]- 220.98188 179.2
[M+Na-2H]- 182.94270 135.1
[M]+ 161.96748 146.8
[M]- 161.96858 146.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe