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 140.4
[M+Na]+ 233.97508 152.3
[M-H]- 209.97858 145.9
[M+NH4]+ 229.01968 163.5
[M+K]+ 249.94902 147.0
[M+H-H2O]+ 193.98312 136.5
[M+HCOO]- 255.98406 157.0
[M+CH3COO]- 269.99971 155.0
[M+Na-2H]- 231.96053 143.6
[M]+ 210.98531 145.0
[M]- 210.98641 145.0
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

patents stripe