CID 3044396

57212-21-2

Structural Information

Molecular Formula
C8H13Cl3OSi
SMILES
C[Si](C)(C)CC#CC(C(Cl)(Cl)Cl)O
InChI
InChI=1S/C8H13Cl3OSi/c1-13(2,3)6-4-5-7(12)8(9,10)11/h7,12H,6H2,1-3H3
InChIKey
XGUSUYCGWPDPQD-UHFFFAOYSA-N
Compound name
1,1,1-trichloro-5-trimethylsilylpent-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.98013 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.98741 154.3
[M+Na]+ 280.96935 164.5
[M-H]- 256.97285 152.2
[M+NH4]+ 276.01395 171.0
[M+K]+ 296.94329 158.3
[M+H-H2O]+ 240.97739 147.3
[M+HCOO]- 302.97833 154.0
[M+CH3COO]- 316.99398 195.3
[M+Na-2H]- 278.95480 156.5
[M]+ 257.97958 151.0
[M]- 257.98068 151.0
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.