CID 14951860

1-bromohept-6-en-2-one

Structural Information

Molecular Formula
C7H11BrO
SMILES
C=CCCCC(=O)CBr
InChI
InChI=1S/C7H11BrO/c1-2-3-4-5-7(9)6-8/h2H,1,3-6H2
InChIKey
TVVCHWOMQXRJTR-UHFFFAOYSA-N
Compound name
1-bromohept-6-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

189.99933 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00661 134.7
[M+Na]+ 212.98855 136.2
[M+NH4]+ 208.03315 139.0
[M+K]+ 228.96249 136.2
[M-H]- 188.99205 132.9
[M+Na-2H]- 210.97400 135.7
[M]+ 189.99878 133.0
[M]- 189.99988 133.0
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