CID 65329082

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

Structural Information

Molecular Formula
C6H7ClN2OS
SMILES
C1COCC1C2=NSC(=N2)Cl
InChI
InChI=1S/C6H7ClN2OS/c7-6-8-5(9-11-6)4-1-2-10-3-4/h4H,1-3H2
InChIKey
WJQXRGKFHZCWGA-UHFFFAOYSA-N
Compound name
5-chloro-3-(oxolan-3-yl)-1,2,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.99677 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00405 136.9
[M+Na]+ 212.98599 147.3
[M-H]- 188.98949 142.3
[M+NH4]+ 208.03059 157.7
[M+K]+ 228.95993 145.7
[M+H-H2O]+ 172.99403 131.2
[M+HCOO]- 234.99497 149.8
[M+CH3COO]- 249.01062 150.9
[M+Na-2H]- 210.97144 137.7
[M]+ 189.99622 139.4
[M]- 189.99732 139.4
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.