CID 738706

N-(thiophene-2-sulfonyl)benzamide

Structural Information

Molecular Formula

C₁₁H₉NO₃S₂

SMILES

C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C11H9NO3S2/c13-11(9-5-2-1-3-6-9)12-17(14,15)10-7-4-8-16-10/h1-8H,(H,12,13)

InChIKey

KEGAPSWTDJXGFU-UHFFFAOYSA-N

Compound name

N-thiophen-2-ylsulfonylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 267.00238 Da
Monoisotopic Mass: 2.3
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]+	268.00966	159.0
[M+Na]+	289.99160	167.3
[M-H]-	265.99510	165.9
[M+NH4]+	285.03620	177.2
[M+K]+	305.96554	162.6
[M+H-H2O]+	249.99964	152.9
[M+HCOO]-	312.00058	174.0
[M+CH3COO]-	326.01623	190.4
[M+Na-2H]-	287.97705	161.4
[M]+	267.00183	161.3
[M]-	267.00293	161.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe