CID 65694175

2-(chloromethyl)-5-(ethoxymethyl)-1,3,4-thiadiazole

Structural Information

Molecular Formula
C6H9ClN2OS
SMILES
CCOCC1=NN=C(S1)CCl
InChI
InChI=1S/C6H9ClN2OS/c1-2-10-4-6-9-8-5(3-7)11-6/h2-4H2,1H3
InChIKey
IWLOPVCHYSEQMW-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-(ethoxymethyl)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.0124 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.01968 136.2
[M+Na]+ 215.00162 146.8
[M-H]- 191.00512 137.7
[M+NH4]+ 210.04622 156.7
[M+K]+ 230.97556 143.7
[M+H-H2O]+ 175.00966 130.3
[M+HCOO]- 237.01060 150.2
[M+CH3COO]- 251.02625 178.6
[M+Na-2H]- 212.98707 138.6
[M]+ 192.01185 142.3
[M]- 192.01295 142.3
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

No patent data available for this compound.