CID 86810532

1864802-09-4

Structural Information

Molecular Formula
C14H21BO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CS(=O)(=O)C
InChI
InChI=1S/C14H21BO4S/c1-13(2)14(3,4)19-15(18-13)12-8-6-7-11(9-12)10-20(5,16)17/h6-9H,10H2,1-5H3
InChIKey
MCILNMLIKSDFJL-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[3-(methylsulfonylmethyl)phenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

296.12537 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13265 159.6
[M+Na]+ 319.11459 169.3
[M-H]- 295.11809 168.4
[M+NH4]+ 314.15919 179.3
[M+K]+ 335.08853 169.4
[M+H-H2O]+ 279.12263 156.3
[M+HCOO]- 341.12357 174.8
[M+CH3COO]- 355.13922 198.8
[M+Na-2H]- 317.10004 164.8
[M]+ 296.12482 166.5
[M]- 296.12592 166.5
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