CID 165937608

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

Structural Information

Molecular Formula
C5H7ClN2OS
SMILES
COCC1=NSC(=N1)CCl
InChI
InChI=1S/C5H7ClN2OS/c1-9-3-4-7-5(2-6)10-8-4/h2-3H2,1H3
InChIKey
UFUFPNXSXDPNEA-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-(methoxymethyl)-1,2,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.99677 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.00405 134.0
[M+Na]+ 200.98599 146.3
[M+NH4]+ 196.03059 142.8
[M+K]+ 216.95993 139.6
[M-H]- 176.98949 134.6
[M+Na-2H]- 198.97144 139.1
[M]+ 177.99622 136.5
[M]- 177.99732 136.5
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.