CID 772142

23997-93-5

Structural Information

Molecular Formula

C₁₁H₉NO₂S

SMILES

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

InChI

InChI=1S/C11H9NO2S/c13-9-5-2-1-4-8(9)12-11(14)10-6-3-7-15-10/h1-7,13H,(H,12,14)

InChIKey

XEEJLVCDQOBGQB-UHFFFAOYSA-N

Compound name

N-(2-hydroxyphenyl)thiophene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 219.0354 Da
Monoisotopic Mass: 2.4
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]+	220.042676	146.0
[M+Na]+	242.024618	153.9
[M-H]-	218.028124	152.1
[M+NH4]+	237.069223	165.7
[M+K]+	257.998558	150.0
[M+H-H2O]+	202.032660	139.9
[M+HCOO]-	264.033601	166.2
[M+CH3COO]-	278.049251	183.5
[M+Na-2H]-	240.010066	148.4
[M]+	219.03485142	146.5
[M]-	219.03594858	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe