CID 11615312

4-chloro-1-(trimethylsilyl)pent-1-yn-3-one

Structural Information

Molecular Formula
C8H13ClOSi
SMILES
CC(C(=O)C#C[Si](C)(C)C)Cl
InChI
InChI=1S/C8H13ClOSi/c1-7(9)8(10)5-6-11(2,3)4/h7H,1-4H3
InChIKey
BTTDLDQGPQGEKS-UHFFFAOYSA-N
Compound name
4-chloro-1-trimethylsilylpent-1-yn-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.04242 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.04970 139.5
[M+Na]+ 211.03164 149.3
[M-H]- 187.03514 139.5
[M+NH4]+ 206.07624 158.8
[M+K]+ 227.00558 146.0
[M+H-H2O]+ 171.03968 130.4
[M+HCOO]- 233.04062 150.2
[M+CH3COO]- 247.05627 188.6
[M+Na-2H]- 209.01709 142.3
[M]+ 188.04187 136.5
[M]- 188.04297 136.5
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

No patent data available for this compound.