CID 54594668

2-[4-(2-methanesulfonylethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C15H23BO5S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OCCS(=O)(=O)C
InChI
InChI=1S/C15H23BO5S/c1-14(2)15(3,4)21-16(20-14)12-6-8-13(9-7-12)19-10-11-22(5,17)18/h6-9H,10-11H2,1-5H3
InChIKey
JTXDKTGHHLUOCW-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[4-(2-methylsulfonylethoxy)phenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

326.13593 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.14321 167.3
[M+Na]+ 349.12515 176.4
[M-H]- 325.12865 175.9
[M+NH4]+ 344.16975 185.7
[M+K]+ 365.09909 176.8
[M+H-H2O]+ 309.13319 163.8
[M+HCOO]- 371.13413 182.4
[M+CH3COO]- 385.14978 203.9
[M+Na-2H]- 347.11060 172.4
[M]+ 326.13538 176.1
[M]- 326.13648 176.1
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

patents stripe