CID 165765009

2060541-22-0

Structural Information

Molecular Formula
C13H18BClO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)SC)Cl
InChI
InChI=1S/C13H18BClO2S/c1-12(2)13(3,4)17-14(16-12)10-7-6-9(18-5)8-11(10)15/h6-8H,1-5H3
InChIKey
KNNYQUOGTCSQPL-UHFFFAOYSA-N
Compound name
2-(2-chloro-4-methylsulfanylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.0809 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08818 155.4
[M+Na]+ 307.07012 166.5
[M-H]- 283.07362 164.6
[M+NH4]+ 302.11472 177.0
[M+K]+ 323.04406 164.6
[M+H-H2O]+ 267.07816 152.7
[M+HCOO]- 329.07910 167.1
[M+CH3COO]- 343.09475 197.5
[M+Na-2H]- 305.05557 158.3
[M]+ 284.08035 163.1
[M]- 284.08145 163.1
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.