CID 133623647

2316813-16-6

Structural Information

Molecular Formula
C13H20BNO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)C)S(=O)(=O)C
InChI
InChI=1S/C13H20BNO4S/c1-9-11(20(6,16)17)7-10(8-15-9)14-18-12(2,3)13(4,5)19-14/h7-8H,1-6H3
InChIKey
KYZJCXFTFPFKLO-UHFFFAOYSA-N
Compound name
2-methyl-3-methylsulfonyl-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

1
Patents

297.1206 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12788 157.9
[M+Na]+ 320.10982 168.9
[M-H]- 296.11332 165.9
[M+NH4]+ 315.15442 176.5
[M+K]+ 336.08376 169.2
[M+H-H2O]+ 280.11786 154.3
[M+HCOO]- 342.11880 172.2
[M+CH3COO]- 356.13445 199.8
[M+Na-2H]- 318.09527 162.8
[M]+ 297.12005 165.4
[M]- 297.12115 165.4
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

patents stripe