CID 18450773

3-bromo-4-chlorothieno[3,2-c]pyridine

Structural Information

Molecular Formula
C7H3BrClNS
SMILES
C1=CN=C(C2=C1SC=C2Br)Cl
InChI
InChI=1S/C7H3BrClNS/c8-4-3-11-5-1-2-10-7(9)6(4)5/h1-3H
InChIKey
FXIKIVFBAQCMRY-UHFFFAOYSA-N
Compound name
3-bromo-4-chlorothieno[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

246.8858 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.89308 132.3
[M+Na]+ 269.87502 138.5
[M+NH4]+ 264.91962 139.5
[M+K]+ 285.84896 136.7
[M-H]- 245.87852 133.9
[M+Na-2H]- 267.86047 137.2
[M]+ 246.88525 133.3
[M]- 246.88635 133.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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