CID 774746

2-oxo-2h-chromene-3-carbothioamide

Structural Information

Molecular Formula

C₁₀H₇NO₂S

SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=S)N

InChI

InChI=1S/C10H7NO2S/c11-9(14)7-5-6-3-1-2-4-8(6)13-10(7)12/h1-5H,(H2,11,14)

InChIKey

NNHJYDSWYAVKNK-UHFFFAOYSA-N

Compound name

2-oxochromene-3-carbothioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 9
Patents: 205.01974 Da
Monoisotopic Mass: 2.1
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]+	206.02702	139.6
[M+Na]+	228.00896	153.1
[M+NH4]+	223.05356	148.7
[M+K]+	243.98290	145.2
[M-H]-	204.01246	144.1
[M+Na-2H]-	225.99441	145.8
[M]+	205.01919	143.3
[M]-	205.02029	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe