CID 21698301

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

Structural Information

Molecular Formula

C₅H₄ClF₂NS

SMILES

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

InChI

InChI=1S/C5H4ClF2NS/c6-1-3-2-9-5(10-3)4(7)8/h2,4H,1H2

InChIKey

LEXQNQJPYQYNBG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 182.9721 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]+	183.97938	127.8
[M+Na]+	205.96132	138.6
[M-H]-	181.96482	128.2
[M+NH4]+	201.00592	149.8
[M+K]+	221.93526	134.9
[M+H-H2O]+	165.96936	121.3
[M+HCOO]-	227.97030	140.1
[M+CH3COO]-	241.98595	177.3
[M+Na-2H]-	203.94677	128.7
[M]+	182.97155	129.1
[M]-	182.97265	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe