CID 121552983

4-(1-chloroethyl)-1,2,3-thiadiazole

Structural Information

Molecular Formula

C₄H₅ClN₂S

SMILES

CC(C1=CSN=N1)Cl

InChI

InChI=1S/C4H5ClN2S/c1-3(5)4-2-8-7-6-4/h2-3H,1H3

InChIKey

ZWXDOEAAEUGFEN-UHFFFAOYSA-N

Compound name

4-(1-chloroethyl)thiadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 147.98619 Da
Monoisotopic Mass: 1.3
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]+	148.99347	124.5
[M+Na]+	170.97541	135.0
[M-H]-	146.97891	126.2
[M+NH4]+	166.02001	146.5
[M+K]+	186.94935	132.5
[M+H-H2O]+	130.98345	119.0
[M+HCOO]-	192.98439	138.0
[M+CH3COO]-	207.00004	170.5
[M+Na-2H]-	168.96086	127.5
[M]+	147.98564	127.6
[M]-	147.98674	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.