CID 9855563

2-bromocyclopentanone

Structural Information

Molecular Formula
C5H7BrO
SMILES
C1CC(C(=O)C1)Br
InChI
InChI=1S/C5H7BrO/c6-4-2-1-3-5(4)7/h4H,1-3H2
InChIKey
KZBPPOPPFUDSOP-UHFFFAOYSA-N
Compound name
2-bromocyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

192
Patents

161.96803 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.97531 127.7
[M+Na]+ 184.95725 139.4
[M-H]- 160.96075 134.0
[M+NH4]+ 180.00185 153.6
[M+K]+ 200.93119 129.8
[M+H-H2O]+ 144.96529 129.0
[M+HCOO]- 206.96623 149.3
[M+CH3COO]- 220.98188 173.6
[M+Na-2H]- 182.94270 134.0
[M]+ 161.96748 143.7
[M]- 161.96858 143.7
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