CID 138113224

2-bromo-4-chloro-3-methylthieno[3,2-c]pyridine

Structural Information

Molecular Formula
C8H5BrClNS
SMILES
CC1=C(SC2=C1C(=NC=C2)Cl)Br
InChI
InChI=1S/C8H5BrClNS/c1-4-6-5(12-7(4)9)2-3-11-8(6)10/h2-3H,1H3
InChIKey
ZYKCUPQWCGXFGX-UHFFFAOYSA-N
Compound name
2-bromo-4-chloro-3-methylthieno[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.90146 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.90874 136.8
[M+Na]+ 283.89068 143.1
[M+NH4]+ 278.93528 143.8
[M+K]+ 299.86462 141.3
[M-H]- 259.89418 138.4
[M+Na-2H]- 281.87613 141.2
[M]+ 260.90091 137.8
[M]- 260.90201 137.8
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.