CID 2434895

1613051-32-3

Structural Information

Molecular Formula

C₈H₅ClN₂O₂S

SMILES

C1=CSC2=NC(=C(N21)/C=C/C(=O)O)Cl

InChI

InChI=1S/C8H5ClN2O2S/c9-7-5(1-2-6(12)13)11-3-4-14-8(11)10-7/h1-4H,(H,12,13)/b2-1+

InChIKey

ZBYRHXXVGNUDRH-OWOJBTEDSA-N

Compound name

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 227.97603 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]+	228.98331	146.4
[M+Na]+	250.96525	158.1
[M+NH4]+	246.00985	154.2
[M+K]+	266.93919	153.9
[M-H]-	226.96875	145.8
[M+Na-2H]-	248.95070	149.5
[M]+	227.97548	148.4
[M]-	227.97658	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe