CID 91885120

1261295-10-6

Structural Information

Molecular Formula
C13H20BNO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)S(=O)(=O)N)C
InChI
InChI=1S/C13H20BNO4S/c1-9-10(7-6-8-11(9)20(15,16)17)14-18-12(2,3)13(4,5)19-14/h6-8H,1-5H3,(H2,15,16,17)
InChIKey
HHJJEPKLXMKELN-UHFFFAOYSA-N
Compound name
2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

414
Patents

297.1206 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12788 163.5
[M+Na]+ 320.10982 173.5
[M+NH4]+ 315.15442 172.8
[M+K]+ 336.08376 166.6
[M-H]- 296.11332 167.9
[M+Na-2H]- 318.09527 169.9
[M]+ 297.12005 166.9
[M]- 297.12115 166.9
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