CID 10965037

2-bromocyclohex-2-en-1-one

Structural Information

Molecular Formula
C6H7BrO
SMILES
C1CC=C(C(=O)C1)Br
InChI
InChI=1S/C6H7BrO/c7-5-3-1-2-4-6(5)8/h3H,1-2,4H2
InChIKey
KYNHSQQWQIIFTG-UHFFFAOYSA-N
Compound name
2-bromocyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

39
Patents

173.96803 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.97531 126.6
[M+Na]+ 196.95725 129.9
[M+NH4]+ 192.00185 132.5
[M+K]+ 212.93119 129.7
[M-H]- 172.96075 127.5
[M+Na-2H]- 194.94270 130.4
[M]+ 173.96748 126.1
[M]- 173.96858 126.1
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