CID 556941

3-bromocyclopent-2-en-1-one

Structural Information

Molecular Formula
C5H5BrO
SMILES
C1CC(=O)C=C1Br
InChI
InChI=1S/C5H5BrO/c6-4-1-2-5(7)3-4/h3H,1-2H2
InChIKey
SLILNCISGMCZCQ-UHFFFAOYSA-N
Compound name
3-bromocyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

176
Patents

159.95238 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.95966 128.0
[M+Na]+ 182.94160 130.3
[M+NH4]+ 177.98620 133.6
[M+K]+ 198.91554 131.8
[M-H]- 158.94510 128.1
[M+Na-2H]- 180.92705 130.6
[M]+ 159.95183 127.0
[M]- 159.95293 127.0
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