CID 24212742

853328-66-2

Structural Information

Molecular Formula
C16H12BrNOS
SMILES
CC1=CC(=CC=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Br
InChI
InChI=1S/C16H12BrNOS/c1-10-5-4-6-11(9-10)18-16(19)15-14(17)12-7-2-3-8-13(12)20-15/h2-9H,1H3,(H,18,19)
InChIKey
UWDXCDUCUWHXDL-UHFFFAOYSA-N
Compound name
3-bromo-N-(3-methylphenyl)-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.9823 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.98958 159.0
[M+Na]+ 367.97152 164.1
[M+NH4]+ 363.01612 165.2
[M+K]+ 383.94546 162.3
[M-H]- 343.97502 162.9
[M+Na-2H]- 365.95697 164.8
[M]+ 344.98175 160.2
[M]- 344.98285 160.2
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.