CID 24212744

853328-70-8

Structural Information

Molecular Formula
C15H8BrCl2NOS
SMILES
C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=C(C=CC=C3Cl)Cl)Br
InChI
InChI=1S/C15H8BrCl2NOS/c16-12-8-4-1-2-7-11(8)21-14(12)15(20)19-13-9(17)5-3-6-10(13)18/h1-7H,(H,19,20)
InChIKey
ZQISFMILCILKJA-UHFFFAOYSA-N
Compound name
3-bromo-N-(2,6-dichlorophenyl)-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.8887 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.89598 170.1
[M+Na]+ 421.87792 177.0
[M+NH4]+ 416.92252 176.7
[M+K]+ 437.85186 173.7
[M-H]- 397.88142 173.9
[M+Na-2H]- 419.86337 175.5
[M]+ 398.88815 172.2
[M]- 398.88925 172.2
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.