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 160.0
[M+Na]+ 320.10982 169.9
[M-H]- 296.11332 168.5
[M+NH4]+ 315.15442 179.2
[M+K]+ 336.08376 169.6
[M+H-H2O]+ 280.11786 156.7
[M+HCOO]- 342.11880 175.6
[M+CH3COO]- 356.13445 201.6
[M+Na-2H]- 318.09527 164.7
[M]+ 297.12005 165.2
[M]- 297.12115 165.2
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