CID 84653623

2-chloro-5-(difluoromethyl)-1,3-thiazole

Structural Information

Molecular Formula

C₄H₂ClF₂NS

SMILES

C1=C(SC(=N1)Cl)C(F)F

InChI

InChI=1S/C4H2ClF2NS/c5-4-8-1-2(9-4)3(6)7/h1,3H

InChIKey

DUYYAYCSJXMAMX-UHFFFAOYSA-N

Compound name

2-chloro-5-(difluoromethyl)-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.95645 Da
Monoisotopic Mass: 2.6
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]+	169.96373	123.1
[M+Na]+	191.94567	134.4
[M-H]-	167.94917	123.8
[M+NH4]+	186.99027	145.7
[M+K]+	207.91961	131.0
[M+H-H2O]+	151.95371	116.9
[M+HCOO]-	213.95465	135.8
[M+CH3COO]-	227.97030	174.3
[M+Na-2H]-	189.93112	124.6
[M]+	168.95590	124.1
[M]-	168.95700	124.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.