CID 165980775

2,5-dichloro-4-iodo-1,3-thiazole

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C3Cl2INS/c4-1-2(6)7-3(5)8-1

InChIKey

YRYAAUSCXJPRPQ-UHFFFAOYSA-N

Compound name

2,5-dichloro-4-iodo-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 278.81732 Da
Monoisotopic Mass: 3.6
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]+	279.82460	128.5
[M+Na]+	301.80654	134.1
[M-H]-	277.81004	124.9
[M+NH4]+	296.85114	146.7
[M+K]+	317.78048	135.6
[M+H-H2O]+	261.81458	121.6
[M+HCOO]-	323.81552	135.0
[M+CH3COO]-	337.83117	182.7
[M+Na-2H]-	299.79199	119.8
[M]+	278.81677	130.2
[M]-	278.81787	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.