CID 16217715

3-(methanesulfonylamino)phenylboronic acid pinacol ester

Structural Information

Molecular Formula
C13H20BNO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NS(=O)(=O)C
InChI
InChI=1S/C13H20BNO4S/c1-12(2)13(3,4)19-14(18-12)10-7-6-8-11(9-10)15-20(5,16)17/h6-9,15H,1-5H3
InChIKey
LBTPCAAJDFFVTA-UHFFFAOYSA-N
Compound name
N-[3-(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

235
Patents

297.1206 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12788 160.3
[M+Na]+ 320.10982 169.4
[M-H]- 296.11332 169.0
[M+NH4]+ 315.15442 179.5
[M+K]+ 336.08376 169.4
[M+H-H2O]+ 280.11786 156.7
[M+HCOO]- 342.11880 176.6
[M+CH3COO]- 356.13445 200.9
[M+Na-2H]- 318.09527 166.5
[M]+ 297.12005 166.1
[M]- 297.12115 166.1
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