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 131.7
[M+Na]+ 200.98599 142.8
[M-H]- 176.98949 133.4
[M+NH4]+ 196.03059 152.8
[M+K]+ 216.95993 140.0
[M+H-H2O]+ 160.99403 126.0
[M+HCOO]- 222.99497 146.1
[M+CH3COO]- 237.01062 175.7
[M+Na-2H]- 198.97144 134.6
[M]+ 177.99622 137.5
[M]- 177.99732 137.5
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.