CID 18177248

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

Structural Information

Molecular Formula

C₃H₃ClN₂OS

SMILES

COC1=NSN=C1Cl

InChI

InChI=1S/C3H3ClN2OS/c1-7-3-2(4)5-8-6-3/h1H3

InChIKey

SNLDYFHPRJMKLQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 149.96545 Da
Monoisotopic Mass: 1.6
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]+	150.97273	122.7
[M+Na]+	172.95467	134.6
[M-H]-	148.95817	124.8
[M+NH4]+	167.99927	144.9
[M+K]+	188.92861	132.4
[M+H-H2O]+	132.96271	117.5
[M+HCOO]-	194.96365	137.7
[M+CH3COO]-	208.97930	169.7
[M+Na-2H]-	170.94012	126.6
[M]+	149.96490	127.8
[M]-	149.96600	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe