CID 83157293

4-chloro-2-methoxythiazole

Structural Information

Molecular Formula

SMILES

COC1=NC(=CS1)Cl

InChI

InChI=1S/C4H4ClNOS/c1-7-4-6-3(5)2-8-4/h2H,1H3

InChIKey

ZJVJELZRYKKHNW-UHFFFAOYSA-N

Compound name

4-chloro-2-methoxy-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 148.97021 Da
Monoisotopic Mass: 2.2
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]+	149.977486	123.6
[M+Na]+	171.959428	135.1
[M-H]-	147.962934	127.1
[M+NH4]+	167.004033	147.2
[M+K]+	187.933368	132.6
[M+H-H2O]+	131.967470	119.2
[M+HCOO]-	193.968411	139.6
[M+CH3COO]-	207.984061	170.0
[M+Na-2H]-	169.944876	127.2
[M]+	148.96966142	128.7
[M]-	148.97075858	128.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe