CID 5462890

Cobalt, tris(3-bromo-2,4-pentanedionato-kappao2,kappao4)-, (oc-6-11)-

Structural Information

Molecular Formula
C5H7BrO2
SMILES
C/C(=C(/C(=O)C)\Br)/O
InChI
InChI=1S/C5H7BrO2/c1-3(7)5(6)4(2)8/h7H,1-2H3/b5-3+
InChIKey
PXYVIMZMALBPQE-HWKANZROSA-N
Compound name
(E)-3-bromo-4-hydroxypent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

177.96294 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.97022 129.9
[M+Na]+ 200.95216 140.4
[M-H]- 176.95566 131.9
[M+NH4]+ 195.99676 152.6
[M+K]+ 216.92610 130.5
[M+H-H2O]+ 160.96020 130.9
[M+HCOO]- 222.96114 148.0
[M+CH3COO]- 236.97679 176.5
[M+Na-2H]- 198.93761 134.3
[M]+ 177.96239 146.6
[M]- 177.96349 146.6
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