CID 65645169

3-chloro-4-cyclopropyl-1,2,5-thiadiazole

Structural Information

Molecular Formula

C₅H₅ClN₂S

SMILES

C1CC1C2=NSN=C2Cl

InChI

InChI=1S/C5H5ClN2S/c6-5-4(3-1-2-3)7-9-8-5/h3H,1-2H2

InChIKey

JDIDGRAAHFYMTC-UHFFFAOYSA-N

Compound name

3-chloro-4-cyclopropyl-1,2,5-thiadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 159.98619 Da
Monoisotopic Mass: 1.9
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]+	160.99347	131.5
[M+Na]+	182.97541	145.8
[M+NH4]+	178.02001	141.7
[M+K]+	198.94935	140.1
[M-H]-	158.97891	140.6
[M+Na-2H]-	180.96086	140.5
[M]+	159.98564	137.9
[M]-	159.98674	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.