CID 10678864

1-bromohex-5-en-2-one

Structural Information

Molecular Formula
C6H9BrO
SMILES
C=CCCC(=O)CBr
InChI
InChI=1S/C6H9BrO/c1-2-3-4-6(8)5-7/h2H,1,3-5H2
InChIKey
SICVUWZDYJMQCT-UHFFFAOYSA-N
Compound name
1-bromohex-5-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

175.98367 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.99095 130.3
[M+Na]+ 198.97289 132.0
[M+NH4]+ 194.01749 134.7
[M+K]+ 214.94683 132.1
[M-H]- 174.97639 128.5
[M+Na-2H]- 196.95834 131.5
[M]+ 175.98312 128.6
[M]- 175.98422 128.6
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