CID 2795212

3292-77-1

Structural Information

Molecular Formula
C5H4BrNOS
SMILES
C1=CSC(=N1)C(=O)CBr
InChI
InChI=1S/C5H4BrNOS/c6-3-4(8)5-7-1-2-9-5/h1-2H,3H2
InChIKey
AQRFTRDAOYSMEA-UHFFFAOYSA-N
Compound name
2-bromo-1-(1,3-thiazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

327
Patents

204.9197 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.92698 126.8
[M+Na]+ 227.90892 140.3
[M-H]- 203.91242 132.8
[M+NH4]+ 222.95352 150.7
[M+K]+ 243.88286 130.0
[M+H-H2O]+ 187.91696 127.6
[M+HCOO]- 249.91790 144.5
[M+CH3COO]- 263.93355 178.7
[M+Na-2H]- 225.89437 132.1
[M]+ 204.91915 147.6
[M]- 204.92025 147.6
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