CID 379023

Nsc662785

Structural Information

Molecular Formula
C13H18O2SSi
SMILES
C[Si](C)(C)C#CC(CS(=O)C1=CC=CC=C1)O
InChI
InChI=1S/C13H18O2SSi/c1-17(2,3)10-9-12(14)11-16(15)13-7-5-4-6-8-13/h4-8,12,14H,11H2,1-3H3
InChIKey
QNQPBFFEHACGBI-UHFFFAOYSA-N
Compound name
1-(benzenesulfinyl)-4-trimethylsilylbut-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.07968 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.08696 168.3
[M+Na]+ 289.06890 176.4
[M-H]- 265.07240 169.4
[M+NH4]+ 284.11350 183.5
[M+K]+ 305.04284 172.0
[M+H-H2O]+ 249.07694 156.6
[M+HCOO]- 311.07788 176.6
[M+CH3COO]- 325.09353 197.1
[M+Na-2H]- 287.05435 167.4
[M]+ 266.07913 164.4
[M]- 266.08023 164.4
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.