CID 3044395

57212-19-8

Structural Information

Molecular Formula
C7H11Cl3OSi
SMILES
C[Si](C)(C)C#CC(C(Cl)(Cl)Cl)O
InChI
InChI=1S/C7H11Cl3OSi/c1-12(2,3)5-4-6(11)7(8,9)10/h6,11H,1-3H3
InChIKey
TUFWGCDDOFZPHE-UHFFFAOYSA-N
Compound name
1,1,1-trichloro-4-trimethylsilylbut-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.96448 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.97176 150.4
[M+Na]+ 266.95370 160.9
[M-H]- 242.95720 148.4
[M+NH4]+ 261.99830 167.6
[M+K]+ 282.92764 154.9
[M+H-H2O]+ 226.96174 143.6
[M+HCOO]- 288.96268 150.4
[M+CH3COO]- 302.97833 192.7
[M+Na-2H]- 264.93915 153.1
[M]+ 243.96393 146.8
[M]- 243.96503 146.8
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.