CID 3014641

10481-34-2

Structural Information

Molecular Formula
C5H5BrO
SMILES
C1CC(=O)C(=C1)Br
InChI
InChI=1S/C5H5BrO/c6-4-2-1-3-5(4)7/h2H,1,3H2
InChIKey
WJZDXONSAPNKGB-UHFFFAOYSA-N
Compound name
2-bromocyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

159.95238 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.959656 125.0
[M+Na]+ 182.941598 137.7
[M-H]- 158.945104 131.7
[M+NH4]+ 177.986203 151.2
[M+K]+ 198.915538 128.0
[M+H-H2O]+ 142.949640 126.4
[M+HCOO]- 204.950581 148.0
[M+CH3COO]- 218.966231 173.3
[M+Na-2H]- 180.927046 132.4
[M]+ 159.95183142 142.4
[M]- 159.95292858 142.4
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