CID 2769382

851983-40-9

Structural Information

Molecular Formula

C₉H₆Cl₂N₂S

SMILES

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

InChI

InChI=1S/C9H6Cl2N2S/c10-5-8-12-13-9(14-8)6-1-3-7(11)4-2-6/h1-4H,5H2

InChIKey

QJHYCCBKRALUJV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 243.96288 Da
Monoisotopic Mass: 3.1
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]+	244.97016	149.2
[M+Na]+	266.95210	165.2
[M+NH4]+	261.99670	159.2
[M+K]+	282.92604	155.9
[M-H]-	242.95560	152.9
[M+Na-2H]-	264.93755	157.6
[M]+	243.96233	153.7
[M]-	243.96343	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe