CID 4356525

2-(methanesulfonylamino)phenylboronic acid pinacol ester

Structural Information

Molecular Formula
C13H20BNO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2NS(=O)(=O)C
InChI
InChI=1S/C13H20BNO4S/c1-12(2)13(3,4)19-14(18-12)10-8-6-7-9-11(10)15-20(5,16)17/h6-9,15H,1-5H3
InChIKey
ADAOINPTCZWNBZ-UHFFFAOYSA-N
Compound name
N-[2-(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

63
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

literature stripe

Patent stripe

patents stripe