CID 79194891

5-chloro-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole

Structural Information

Molecular Formula
C6H9ClN2OS
SMILES
CC(C)(C1=NSC(=N1)Cl)OC
InChI
InChI=1S/C6H9ClN2OS/c1-6(2,10-3)4-8-5(7)11-9-4/h1-3H3
InChIKey
IMDSTMKBEFZQGL-UHFFFAOYSA-N
Compound name
5-chloro-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

192.0124 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.01968 138.2
[M+Na]+ 215.00162 149.2
[M-H]- 191.00512 140.2
[M+NH4]+ 210.04622 158.9
[M+K]+ 230.97556 146.5
[M+H-H2O]+ 175.00966 132.9
[M+HCOO]- 237.01060 150.7
[M+CH3COO]- 251.02625 179.0
[M+Na-2H]- 212.98707 141.3
[M]+ 192.01185 143.8
[M]- 192.01295 143.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe