CID 68857726

3-bromo-2-methylthieno[2,3-b]pyridine

Structural Information

Molecular Formula
C8H6BrNS
SMILES
CC1=C(C2=C(S1)N=CC=C2)Br
InChI
InChI=1S/C8H6BrNS/c1-5-7(9)6-3-2-4-10-8(6)11-5/h2-4H,1H3
InChIKey
VIPRDICSJRCMOI-UHFFFAOYSA-N
Compound name
3-bromo-2-methylthieno[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

226.94043 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.94771 129.7
[M+Na]+ 249.92965 135.0
[M+NH4]+ 244.97425 136.6
[M+K]+ 265.90359 134.0
[M-H]- 225.93315 131.4
[M+Na-2H]- 247.91510 134.4
[M]+ 226.93988 130.3
[M]- 226.94098 130.3
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