CID 13673193

105315-43-3

Structural Information

Molecular Formula

C₄HCl₂F₂NS

SMILES

C1(=C(N=C(S1)Cl)Cl)C(F)F

InChI

InChI=1S/C4HCl2F2NS/c5-2-1(3(7)8)10-4(6)9-2/h3H

InChIKey

BMNCFMVAGOFKJA-UHFFFAOYSA-N

Compound name

2,4-dichloro-5-(difluoromethyl)-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 202.91748 Da
Monoisotopic Mass: 3.5
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]+	203.92476	128.1
[M+Na]+	225.90670	140.2
[M-H]-	201.91020	128.4
[M+NH4]+	220.95130	149.8
[M+K]+	241.88064	135.5
[M+H-H2O]+	185.91474	122.8
[M+HCOO]-	247.91568	135.6
[M+CH3COO]-	261.93133	180.2
[M+Na-2H]-	223.89215	128.3
[M]+	202.91693	130.1
[M]-	202.91803	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe