CID 1478445

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

Structural Information

Molecular Formula

C₃H₃ClN₂S

SMILES

CC1=C(SN=N1)Cl

InChI

InChI=1S/C3H3ClN2S/c1-2-3(4)7-6-5-2/h1H3

InChIKey

RRQBJFBRLOWLJR-UHFFFAOYSA-N

Compound name

5-chloro-4-methylthiadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 133.97055 Da
Monoisotopic Mass: 1.8
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]+	134.97783	119.6
[M+Na]+	156.95977	131.7
[M-H]-	132.96327	121.7
[M+NH4]+	152.00437	142.5
[M+K]+	172.93371	129.0
[M+H-H2O]+	116.96781	114.5
[M+HCOO]-	178.96875	134.3
[M+CH3COO]-	192.98440	167.8
[M+Na-2H]-	154.94522	123.4
[M]+	133.97000	123.2
[M]-	133.97110	123.2

Literature stripe

literature stripe

Patent stripe

patents stripe