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 158.8
[M+Na]+ 318.04974 172.7
[M-H]- 294.05324 168.3
[M+NH4]+ 313.09434 181.5
[M+K]+ 334.02368 170.3
[M+H-H2O]+ 278.05778 155.8
[M+HCOO]- 340.05872 171.4
[M+CH3COO]- 354.07437 173.5
[M+Na-2H]- 316.03519 162.0
[M]+ 295.05997 168.2
[M]- 295.06107 168.2
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

No patent data available for this compound.