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	127.2
[M+Na]+	182.97541	139.7
[M-H]-	158.97891	132.6
[M+NH4]+	178.02001	143.9
[M+K]+	198.94935	135.5
[M+H-H2O]+	142.98345	120.7
[M+HCOO]-	204.98439	142.0
[M+CH3COO]-	219.00004	141.3
[M+Na-2H]-	180.96086	130.3
[M]+	159.98564	132.2
[M]-	159.98674	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.