CID 531926

N-(4-bromophenyl)thiophene-2-carboxamide

Structural Information

Molecular Formula
C11H8BrNOS
SMILES
C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C11H8BrNOS/c12-8-3-5-9(6-4-8)13-11(14)10-2-1-7-15-10/h1-7H,(H,13,14)
InChIKey
GOSYKGLEOORQPW-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

280.951 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.958276 148.3
[M+Na]+ 303.940218 160.2
[M-H]- 279.943724 158.2
[M+NH4]+ 298.984823 170.0
[M+K]+ 319.914158 148.1
[M+H-H2O]+ 263.948260 148.2
[M+HCOO]- 325.949201 167.6
[M+CH3COO]- 339.964851 193.7
[M+Na-2H]- 301.925666 152.7
[M]+ 280.95045142 167.9
[M]- 280.95154858 167.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.