CID 2778987

3-phenoxythiophene-2-carbaldehyde

Structural Information

Molecular Formula

C₁₁H₈O₂S

SMILES

C1=CC=C(C=C1)OC2=C(SC=C2)C=O

InChI

InChI=1S/C11H8O2S/c12-8-11-10(6-7-14-11)13-9-4-2-1-3-5-9/h1-8H

InChIKey

QHJDRZXMSDASSH-UHFFFAOYSA-N

Compound name

3-phenoxythiophene-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 204.0245 Da
Monoisotopic Mass: 2.9
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]+	205.03178	142.3
[M+Na]+	227.01372	155.7
[M+NH4]+	222.05832	152.0
[M+K]+	242.98766	148.0
[M-H]-	203.01722	146.6
[M+Na-2H]-	224.99917	150.7
[M]+	204.02395	145.9
[M]-	204.02505	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe