CID 167739320

4-bromo-3-ethoxy-1,2-thiazole

Structural Information

Molecular Formula
C5H6BrNOS
SMILES
CCOC1=NSC=C1Br
InChI
InChI=1S/C5H6BrNOS/c1-2-8-5-4(6)3-9-7-5/h3H,2H2,1H3
InChIKey
OQSVDQIHKHUCFN-UHFFFAOYSA-N
Compound name
4-bromo-3-ethoxy-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.93535 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.94263 126.3
[M+Na]+ 229.92457 140.7
[M-H]- 205.92807 132.6
[M+NH4]+ 224.96917 150.6
[M+K]+ 245.89851 130.5
[M+H-H2O]+ 189.93261 127.2
[M+HCOO]- 251.93355 144.8
[M+CH3COO]- 265.94920 179.9
[M+Na-2H]- 227.91002 132.1
[M]+ 206.93480 148.7
[M]- 206.93590 148.7
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.