CID 24212735

3-bromo-n-phenyl-1-benzothiophene-2-carboxamide

Structural Information

Molecular Formula
C15H10BrNOS
SMILES
C1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Br
InChI
InChI=1S/C15H10BrNOS/c16-13-11-8-4-5-9-12(11)19-14(13)15(18)17-10-6-2-1-3-7-10/h1-9H,(H,17,18)
InChIKey
ABKMCGWLOOCDPQ-UHFFFAOYSA-N
Compound name
3-bromo-N-phenyl-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.96664 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.97392 160.8
[M+Na]+ 353.95586 174.0
[M-H]- 329.95936 171.9
[M+NH4]+ 349.00046 181.9
[M+K]+ 369.92980 161.1
[M+H-H2O]+ 313.96390 160.9
[M+HCOO]- 375.96484 180.2
[M+CH3COO]- 389.98049 175.9
[M+Na-2H]- 351.94131 166.5
[M]+ 330.96609 182.5
[M]- 330.96719 182.5
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.