CID 21822810

3,6-dichloro-1-benzothiophene-2-carboxamide

Structural Information

Molecular Formula
C9H5Cl2NOS
SMILES
C1=CC2=C(C=C1Cl)SC(=C2Cl)C(=O)N
InChI
InChI=1S/C9H5Cl2NOS/c10-4-1-2-5-6(3-4)14-8(7(5)11)9(12)13/h1-3H,(H2,12,13)
InChIKey
XAZABYGIZOUFKN-UHFFFAOYSA-N
Compound name
3,6-dichloro-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.94688 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.95416 147.0
[M+Na]+ 267.93610 159.9
[M-H]- 243.93960 152.2
[M+NH4]+ 262.98070 169.4
[M+K]+ 283.91004 153.4
[M+H-H2O]+ 227.94414 144.2
[M+HCOO]- 289.94508 158.5
[M+CH3COO]- 303.96073 161.0
[M+Na-2H]- 265.92155 148.8
[M]+ 244.94633 152.9
[M]- 244.94743 152.9
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.