CID 165942116

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

Structural Information

Molecular Formula
C5H7BrN2OS
SMILES
COCC1=NSC(=N1)CBr
InChI
InChI=1S/C5H7BrN2OS/c1-9-3-4-7-5(2-6)10-8-4/h2-3H2,1H3
InChIKey
LAQROXPBYYJSJD-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-3-(methoxymethyl)-1,2,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.94624 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.95352 133.5
[M+Na]+ 244.93546 135.8
[M+NH4]+ 239.98006 138.3
[M+K]+ 260.90940 136.2
[M-H]- 220.93896 132.7
[M+Na-2H]- 242.92091 135.8
[M]+ 221.94569 132.7
[M]- 221.94679 132.7
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.