CID 13318775

2-chloro-5-(4-chlorophenyl)-1,3,4-thiadiazole

Structural Information

Molecular Formula

C₈H₄Cl₂N₂S

SMILES

C1=CC(=CC=C1C2=NN=C(S2)Cl)Cl

InChI

InChI=1S/C8H4Cl2N2S/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H

InChIKey

UVTBFAQZJPMCIT-UHFFFAOYSA-N

Compound name

2-chloro-5-(4-chlorophenyl)-1,3,4-thiadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 229.94722 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]+	230.95450	144.8
[M+Na]+	252.93644	160.9
[M+NH4]+	247.98104	154.9
[M+K]+	268.91038	151.9
[M-H]-	228.93994	148.5
[M+Na-2H]-	250.92189	153.5
[M]+	229.94667	149.3
[M]-	229.94777	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe