CID 2761287

88982-72-3

Structural Information

Molecular Formula

C₃H₃ClN₂O₂S₂

SMILES

CS(=O)(=O)C1=NSC(=N1)Cl

InChI

InChI=1S/C3H3ClN2O2S2/c1-10(7,8)3-5-2(4)9-6-3/h1H3

InChIKey

OJHNOEXAECSREP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 197.93245 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]+	198.93973	135.0
[M+Na]+	220.92167	147.6
[M-H]-	196.92517	137.5
[M+NH4]+	215.96627	155.4
[M+K]+	236.89561	143.6
[M+H-H2O]+	180.92971	130.7
[M+HCOO]-	242.93065	143.5
[M+CH3COO]-	256.94630	175.3
[M+Na-2H]-	218.90712	137.0
[M]+	197.93190	140.2
[M]-	197.93300	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe