CID 21698104

1710-68-5

Structural Information

Molecular Formula

SMILES

C1=C(SN=C1)CCl

InChI

InChI=1S/C4H4ClNS/c5-3-4-1-2-6-7-4/h1-2H,3H2

InChIKey

YKIKIIQSXSZENB-UHFFFAOYSA-N

Compound name

5-(chloromethyl)-1,2-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 132.9753 Da
Monoisotopic Mass: 1.4
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]+	133.98258	122.0
[M+Na]+	155.96452	135.0
[M+NH4]+	151.00912	132.4
[M+K]+	171.93846	127.5
[M-H]-	131.96802	124.1
[M+Na-2H]-	153.94997	128.6
[M]+	132.97475	125.2
[M]-	132.97585	125.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe