CID 23221711

930-44-9

Structural Information

Molecular Formula

SMILES

CC1=C(C=NS1)Cl

InChI

InChI=1S/C4H4ClNS/c1-3-4(5)2-6-7-3/h2H,1H3

InChIKey

VSVAEUSJWHKDIN-UHFFFAOYSA-N

Compound name

4-chloro-5-methyl-1,2-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 132.9753 Da
Monoisotopic Mass: 2.0
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]+	133.98258	122.1
[M+Na]+	155.96452	135.4
[M+NH4]+	151.00912	132.5
[M+K]+	171.93846	128.1
[M-H]-	131.96802	124.2
[M+Na-2H]-	153.94997	128.4
[M]+	132.97475	125.3
[M]-	132.97585	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe