CID 2736982

4-methyl-1,2,3-thiadiazole-5-carbonyl chloride

Structural Information

Molecular Formula

C₄H₃ClN₂OS

SMILES

CC1=C(SN=N1)C(=O)Cl

InChI

InChI=1S/C4H3ClN2OS/c1-2-3(4(5)8)9-7-6-2/h1H3

InChIKey

SDNDOCTUXWLDIX-UHFFFAOYSA-N

Compound name

4-methylthiadiazole-5-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 254
Patents: 161.96545 Da
Monoisotopic Mass: 1.7
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]+	162.97273	126.7
[M+Na]+	184.95467	138.2
[M-H]-	160.95817	128.8
[M+NH4]+	179.99927	148.3
[M+K]+	200.92861	135.5
[M+H-H2O]+	144.96271	121.5
[M+HCOO]-	206.96365	140.6
[M+CH3COO]-	220.97930	172.6
[M+Na-2H]-	182.94012	129.1
[M]+	161.96490	130.9
[M]-	161.96600	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe