CID 12567924

1-(1-bromocyclopropyl)ethanone

Structural Information

Molecular Formula
C5H7BrO
SMILES
CC(=O)C1(CC1)Br
InChI
InChI=1S/C5H7BrO/c1-4(7)5(6)2-3-5/h2-3H2,1H3
InChIKey
REWROPAHGVWQGQ-UHFFFAOYSA-N
Compound name
1-(1-bromocyclopropyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.96803 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.97531 119.7
[M+Na]+ 184.95725 123.6
[M+NH4]+ 180.00185 126.9
[M+K]+ 200.93119 124.4
[M-H]- 160.96075 125.6
[M+Na-2H]- 182.94270 126.6
[M]+ 161.96748 121.9
[M]- 161.96858 121.9
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