CID 138040282

1869141-05-8

Structural Information

Molecular Formula
C13H16BNO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(S2)N=CC=C3
InChI
InChI=1S/C13H16BNO2S/c1-12(2)13(3,4)17-14(16-12)10-8-9-6-5-7-15-11(9)18-10/h5-8H,1-4H3
InChIKey
PDHCUKJHGUWHFZ-UHFFFAOYSA-N
Compound name
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.0995 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10678 151.6
[M+Na]+ 284.08872 164.4
[M-H]- 260.09222 161.0
[M+NH4]+ 279.13332 174.7
[M+K]+ 300.06266 163.5
[M+H-H2O]+ 244.09676 148.0
[M+HCOO]- 306.09770 169.1
[M+CH3COO]- 320.11335 166.7
[M+Na-2H]- 282.07417 156.0
[M]+ 261.09895 159.1
[M]- 261.10005 159.1
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.