CID 24212747

3-bromo-n-(3-chlorophenyl)-1-benzothiophene-2-carboxamide

Structural Information

Molecular Formula
C15H9BrClNOS
SMILES
C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CC(=CC=C3)Cl)Br
InChI
InChI=1S/C15H9BrClNOS/c16-13-11-6-1-2-7-12(11)20-14(13)15(19)18-10-5-3-4-9(17)8-10/h1-8H,(H,18,19)
InChIKey
AYLFJNKOEHUYSB-UHFFFAOYSA-N
Compound name
3-bromo-N-(3-chlorophenyl)-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.92767 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.93495 166.8
[M+Na]+ 387.91689 181.6
[M-H]- 363.92039 178.1
[M+NH4]+ 382.96149 187.7
[M+K]+ 403.89083 167.1
[M+H-H2O]+ 347.92493 167.7
[M+HCOO]- 409.92587 181.7
[M+CH3COO]- 423.94152 181.8
[M+Na-2H]- 385.90234 171.5
[M]+ 364.92712 190.8
[M]- 364.92822 190.8
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.