CID 215656

36050-27-8

Structural Information

Molecular Formula

C₁₂H₁₀O₃S

SMILES

COC1=CC=CC=C1OC(=O)C2=CC=CS2

InChI

InChI=1S/C12H10O3S/c1-14-9-5-2-3-6-10(9)15-12(13)11-7-4-8-16-11/h2-8H,1H3

InChIKey

LCVPOIWPINSTGT-UHFFFAOYSA-N

Compound name

(2-methoxyphenyl) thiophene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 234.03506 Da
Monoisotopic Mass: 3.3
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]+	235.042336	150.4
[M+Na]+	257.024278	159.2
[M-H]-	233.027784	158.0
[M+NH4]+	252.068883	170.6
[M+K]+	272.998218	156.7
[M+H-H2O]+	217.032320	144.2
[M+HCOO]-	279.033261	171.2
[M+CH3COO]-	293.048911	186.2
[M+Na-2H]-	255.009726	152.1
[M]+	234.03451142	155.3
[M]-	234.03560858	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe