CID 24212605

3-bromo-n-phenyl-2-thiophenecarboxamide

Structural Information

Molecular Formula

C₁₁H₈BrNOS

SMILES

C1=CC=C(C=C1)NC(=O)C2=C(C=CS2)Br

InChI

InChI=1S/C11H8BrNOS/c12-9-6-7-15-10(9)11(14)13-8-4-2-1-3-5-8/h1-7H,(H,13,14)

InChIKey

KXWCWGXPNHHDRY-UHFFFAOYSA-N

Compound name

3-bromo-N-phenylthiophene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 280.951 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	281.95828	144.6
[M+Na]+	303.94022	147.4
[M+NH4]+	298.98482	150.3
[M+K]+	319.91416	147.0
[M-H]-	279.94372	147.4
[M+Na-2H]-	301.92567	149.8
[M]+	280.95045	144.9
[M]-	280.95155	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe