CID 607052

3-chlorobenzo[b]thiophene-2-carboxamide

Structural Information

Molecular Formula
C9H6ClNOS
SMILES
C1=CC=C2C(=C1)C(=C(S2)C(=O)N)Cl
InChI
InChI=1S/C9H6ClNOS/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,(H2,11,12)
InChIKey
XAELQWGFCUUJNM-UHFFFAOYSA-N
Compound name
3-chloro-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

210.98586 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.99314 140.0
[M+Na]+ 233.97508 153.4
[M+NH4]+ 229.01968 150.2
[M+K]+ 249.94902 146.1
[M-H]- 209.97858 143.2
[M+Na-2H]- 231.96053 146.4
[M]+ 210.98531 143.6
[M]- 210.98641 143.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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