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 171.7
[M+Na]+ 421.87792 187.7
[M-H]- 397.88142 182.7
[M+NH4]+ 416.92252 192.0
[M+K]+ 437.85186 172.3
[M+H-H2O]+ 381.88596 173.4
[M+HCOO]- 443.88690 181.7
[M+CH3COO]- 457.90255 186.3
[M+Na-2H]- 419.86337 175.2
[M]+ 398.88815 197.0
[M]- 398.88925 197.0
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.