CID 2763267

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

Structural Information

Molecular Formula
C5H6BrNOS
SMILES
CCOC1=NC(=CS1)Br
InChI
InChI=1S/C5H6BrNOS/c1-2-8-5-7-4(6)3-9-5/h3H,2H2,1H3
InChIKey
WWAHHXIZNAPEBY-UHFFFAOYSA-N
Compound name
4-bromo-2-ethoxy-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

206.93535 Da
Monoisotopic Mass

2.6
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

literature stripe

Patent stripe

patents stripe