CID 107967356

1-(5-bromothiophen-3-yl)-2-chloroethan-1-one

Structural Information

Molecular Formula
C6H4BrClOS
SMILES
C1=C(SC=C1C(=O)CCl)Br
InChI
InChI=1S/C6H4BrClOS/c7-6-1-4(3-10-6)5(9)2-8/h1,3H,2H2
InChIKey
UITAYOWAXVMKJG-UHFFFAOYSA-N
Compound name
1-(5-bromothiophen-3-yl)-2-chloroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.88548 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.892756 134.2
[M+Na]+ 260.874698 148.8
[M-H]- 236.878204 141.7
[M+NH4]+ 255.919303 159.1
[M+K]+ 276.848638 136.2
[M+H-H2O]+ 220.882740 136.4
[M+HCOO]- 282.883681 148.2
[M+CH3COO]- 296.899331 183.7
[M+Na-2H]- 258.860146 138.0
[M]+ 237.88493142 156.7
[M]- 237.88602858 156.7
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.