CID 79661721

2246733-43-5

Structural Information

Molecular Formula
C15H23BO3S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)CSC)OC
InChI
InChI=1S/C15H23BO3S/c1-14(2)15(3,4)19-16(18-14)12-9-11(10-20-6)7-8-13(12)17-5/h7-9H,10H2,1-6H3
InChIKey
NTHBOGSWUHHWLO-UHFFFAOYSA-N
Compound name
2-[2-methoxy-5-(methylsulfanylmethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1461 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15338 161.0
[M+Na]+ 317.13532 170.6
[M-H]- 293.13882 169.9
[M+NH4]+ 312.17992 181.2
[M+K]+ 333.10926 170.5
[M+H-H2O]+ 277.14336 157.2
[M+HCOO]- 339.14430 176.9
[M+CH3COO]- 353.15995 201.8
[M+Na-2H]- 315.12077 163.7
[M]+ 294.14555 169.1
[M]- 294.14665 169.1
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.