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]+ 207.942626 126.3
[M+Na]+ 229.924568 140.7
[M-H]- 205.928074 132.6
[M+NH4]+ 224.969173 150.6
[M+K]+ 245.898508 130.5
[M+H-H2O]+ 189.932610 127.2
[M+HCOO]- 251.933551 144.8
[M+CH3COO]- 265.949201 179.9
[M+Na-2H]- 227.910016 132.1
[M]+ 206.93480142 148.7
[M]- 206.93589858 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.