CID 59690651

1001185-88-1

Structural Information

Molecular Formula
C13H19BO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)S(=O)(=O)C
InChI
InChI=1S/C13H19BO4S/c1-12(2)13(3,4)18-14(17-12)10-7-6-8-11(9-10)19(5,15)16/h6-9H,1-5H3
InChIKey
UERYNIKUFOCEAB-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(3-methylsulfonylphenyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

282.1097 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11698 155.1
[M+Na]+ 305.09892 165.3
[M-H]- 281.10242 164.2
[M+NH4]+ 300.14352 175.4
[M+K]+ 321.07286 165.5
[M+H-H2O]+ 265.10696 152.0
[M+HCOO]- 327.10790 170.7
[M+CH3COO]- 341.12355 195.8
[M+Na-2H]- 303.08437 160.8
[M]+ 282.10915 161.7
[M]- 282.11025 161.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe