CID 776772

4-formyl-2-methoxyphenyl thiophene-2-carboxylate

Structural Information

Molecular Formula

C₁₃H₁₀O₄S

SMILES

COC1=C(C=CC(=C1)C=O)OC(=O)C2=CC=CS2

InChI

InChI=1S/C13H10O4S/c1-16-11-7-9(8-14)4-5-10(11)17-13(15)12-3-2-6-18-12/h2-8H,1H3

InChIKey

ZOLFWKYWRIZFDP-UHFFFAOYSA-N

Compound name

(4-formyl-2-methoxyphenyl) thiophene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 262.02997 Da
Monoisotopic Mass: 2.8
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]+	263.03725	157.4
[M+Na]+	285.01919	169.4
[M+NH4]+	280.06379	165.2
[M+K]+	300.99313	163.2
[M-H]-	261.02269	160.1
[M+Na-2H]-	283.00464	163.7
[M]+	262.02942	160.2
[M]-	262.03052	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe