CID 122164048

5-chloro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-b]pyridine

Structural Information

Molecular Formula
C13H15BClNO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(S2)C=CC(=N3)Cl
InChI
InChI=1S/C13H15BClNO2S/c1-12(2)13(3,4)18-14(17-12)10-7-8-9(19-10)5-6-11(15)16-8/h5-7H,1-4H3
InChIKey
MXOIZBZZBPVHLE-UHFFFAOYSA-N
Compound name
5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.06052 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.06780 159.7
[M+Na]+ 318.04974 174.2
[M+NH4]+ 313.09434 172.1
[M+K]+ 334.02368 165.4
[M-H]- 294.05324 165.9
[M+Na-2H]- 316.03519 167.6
[M]+ 295.05997 164.9
[M]- 295.06107 164.9
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

No patent data available for this compound.