CID 86775319

5-chloro-2,3-dihydro-1,3,4-thiadiazol-2-one

Structural Information

Molecular Formula

SMILES

C1(=O)NN=C(S1)Cl

InChI

InChI=1S/C2HClN2OS/c3-1-4-5-2(6)7-1/h(H,5,6)

InChIKey

KYJGHVMLZDSOOW-UHFFFAOYSA-N

Compound name

5-chloro-3H-1,3,4-thiadiazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 135.94981 Da
Monoisotopic Mass: 1.4
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]+	136.95709	121.1
[M+Na]+	158.93903	133.6
[M+NH4]+	153.98363	129.8
[M+K]+	174.91297	127.7
[M-H]-	134.94253	121.1
[M+Na-2H]-	156.92448	126.2
[M]+	135.94926	123.4
[M]-	135.95036	123.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe