CID 170913293

6-chloro-2-methylimidazo[2,1-b][1,3]thiazole-3-carbaldehyde

Structural Information

Molecular Formula

C₇H₅ClN₂OS

SMILES

CC1=C(N2C=C(N=C2S1)Cl)C=O

InChI

InChI=1S/C7H5ClN2OS/c1-4-5(3-11)10-2-6(8)9-7(10)12-4/h2-3H,1H3

InChIKey

SEZHWVIYDIGPPJ-UHFFFAOYSA-N

Compound name

6-chloro-2-methylimidazo[2,1-b][1,3]thiazole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.98111 Da
Monoisotopic Mass: 3.0
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]+	200.988386	138.3
[M+Na]+	222.970328	153.3
[M-H]-	198.973834	142.4
[M+NH4]+	218.014933	162.1
[M+K]+	238.944268	149.1
[M+H-H2O]+	182.978370	133.9
[M+HCOO]-	244.979311	154.5
[M+CH3COO]-	258.994961	153.8
[M+Na-2H]-	220.955776	140.2
[M]+	199.98056142	146.4
[M]-	199.98165858	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.