CID 24212741

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

Structural Information

Molecular Formula
C15H9BrFNOS
SMILES
C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CC=CC=C3F)Br
InChI
InChI=1S/C15H9BrFNOS/c16-13-9-5-1-4-8-12(9)20-14(13)15(19)18-11-7-3-2-6-10(11)17/h1-8H,(H,18,19)
InChIKey
ITCSSXXEZIBMNN-UHFFFAOYSA-N
Compound name
3-bromo-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.95724 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.96452 164.3
[M+Na]+ 371.94646 178.2
[M-H]- 347.94996 174.3
[M+NH4]+ 366.99106 184.8
[M+K]+ 387.92040 164.8
[M+H-H2O]+ 331.95450 163.6
[M+HCOO]- 393.95544 182.6
[M+CH3COO]- 407.97109 179.0
[M+Na-2H]- 369.93191 168.7
[M]+ 348.95669 185.4
[M]- 348.95779 185.4
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.