CID 82389094

Methyl 2-(5-bromo-1,2,4-thiadiazol-3-yl)acetate

Structural Information

Molecular Formula
C5H5BrN2O2S
SMILES
COC(=O)CC1=NSC(=N1)Br
InChI
InChI=1S/C5H5BrN2O2S/c1-10-4(9)2-3-7-5(6)11-8-3/h2H2,1H3
InChIKey
JAJJFJLBQUKCLJ-UHFFFAOYSA-N
Compound name
methyl 2-(5-bromo-1,2,4-thiadiazol-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.9255 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.93278 135.0
[M+Na]+ 258.91472 136.6
[M+NH4]+ 253.95932 138.9
[M+K]+ 274.88866 138.2
[M-H]- 234.91822 133.4
[M+Na-2H]- 256.90017 136.6
[M]+ 235.92495 133.7
[M]- 235.92605 133.7
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.