CID 23321338

4-bromopentane-2,3-dione

Structural Information

Molecular Formula
C5H7BrO2
SMILES
CC(C(=O)C(=O)C)Br
InChI
InChI=1S/C5H7BrO2/c1-3(6)5(8)4(2)7/h3H,1-2H3
InChIKey
VHBQPPMMBOGTCI-UHFFFAOYSA-N
Compound name
4-bromopentane-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

177.96294 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.97022 126.5
[M+Na]+ 200.95216 127.4
[M+NH4]+ 195.99676 130.3
[M+K]+ 216.92610 129.8
[M-H]- 176.95566 123.9
[M+Na-2H]- 198.93761 127.1
[M]+ 177.96239 124.4
[M]- 177.96349 124.4
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