CID 23154548

928657-23-2

Structural Information

Molecular Formula
C13H20BNO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CS(=O)(=O)N
InChI
InChI=1S/C13H20BNO4S/c1-12(2)13(3,4)19-14(18-12)11-7-5-10(6-8-11)9-20(15,16)17/h5-8H,9H2,1-4H3,(H2,15,16,17)
InChIKey
GIAWTHCXIKEOIY-UHFFFAOYSA-N
Compound name
[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

297.1206 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12788 161.1
[M+Na]+ 320.10982 170.3
[M-H]- 296.11332 169.3
[M+NH4]+ 315.15442 180.0
[M+K]+ 336.08376 169.9
[M+H-H2O]+ 280.11786 157.5
[M+HCOO]- 342.11880 176.8
[M+CH3COO]- 356.13445 200.3
[M+Na-2H]- 318.09527 166.3
[M]+ 297.12005 165.9
[M]- 297.12115 165.9
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