CID 12567924

63141-08-2

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

8
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 126.3
[M+Na]+ 184.95725 140.0
[M-H]- 160.96075 134.1
[M+NH4]+ 180.00185 147.7
[M+K]+ 200.93119 130.6
[M+H-H2O]+ 144.96529 127.7
[M+HCOO]- 206.96623 147.5
[M+CH3COO]- 220.98188 178.8
[M+Na-2H]- 182.94270 135.3
[M]+ 161.96748 146.5
[M]- 161.96858 146.5
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

patents stripe