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]+ 261.908736 135.7
[M+Na]+ 283.890678 153.7
[M-H]- 259.894184 143.6
[M+NH4]+ 278.935283 160.5
[M+K]+ 299.864618 140.4
[M+H-H2O]+ 243.898720 138.0
[M+HCOO]- 305.899661 150.0
[M+CH3COO]- 319.915311 153.2
[M+Na-2H]- 281.876126 142.2
[M]+ 260.90091142 160.6
[M]- 260.90200858 160.6
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.