CID 56776923

1449010-00-7

Structural Information

Molecular Formula
C13H20BNO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)S(=O)(=O)CC
InChI
InChI=1S/C13H20BNO4S/c1-6-20(16,17)11-8-7-10(9-15-11)14-18-12(2,3)13(4,5)19-14/h7-9H,6H2,1-5H3
InChIKey
QOLFEWVIPJFAPE-UHFFFAOYSA-N
Compound name
2-ethylsulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1206 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12788 159.3
[M+Na]+ 320.10982 169.5
[M-H]- 296.11332 167.0
[M+NH4]+ 315.15442 177.6
[M+K]+ 336.08376 169.7
[M+H-H2O]+ 280.11786 155.3
[M+HCOO]- 342.11880 173.7
[M+CH3COO]- 356.13445 198.5
[M+Na-2H]- 318.09527 164.6
[M]+ 297.12005 166.4
[M]- 297.12115 166.4
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

No patent data available for this compound.