CID 85822826

1-bromo-4-(trimethylsilyl)but-3-yn-2-one

Structural Information

Molecular Formula
C7H11BrOSi
SMILES
C[Si](C)(C)C#CC(=O)CBr
InChI
InChI=1S/C7H11BrOSi/c1-10(2,3)5-4-7(9)6-8/h6H2,1-3H3
InChIKey
AUXMRAOWTLDXNT-UHFFFAOYSA-N
Compound name
1-bromo-4-trimethylsilylbut-3-yn-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

217.97626 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.98354 138.1
[M+Na]+ 240.96548 151.0
[M-H]- 216.96898 139.6
[M+NH4]+ 236.01008 158.6
[M+K]+ 256.93942 140.5
[M+H-H2O]+ 200.97352 133.2
[M+HCOO]- 262.97446 154.1
[M+CH3COO]- 276.99011 191.1
[M+Na-2H]- 238.95093 143.8
[M]+ 217.97571 150.4
[M]- 217.97681 150.4
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