CID 2063634

2-(bromoacetyl)-5-chlorothiophene

Structural Information

Molecular Formula
C6H4BrClOS
SMILES
C1=C(SC(=C1)Cl)C(=O)CBr
InChI
InChI=1S/C6H4BrClOS/c7-3-4(9)5-1-2-6(8)10-5/h1-2H,3H2
InChIKey
YIKFQMAUWNYCHK-UHFFFAOYSA-N
Compound name
2-bromo-1-(5-chlorothiophen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

225
Patents

237.88548 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.89276 134.2
[M+Na]+ 260.87470 148.8
[M-H]- 236.87820 141.7
[M+NH4]+ 255.91930 159.1
[M+K]+ 276.84864 136.2
[M+H-H2O]+ 220.88274 136.4
[M+HCOO]- 282.88368 148.2
[M+CH3COO]- 296.89933 183.7
[M+Na-2H]- 258.86015 138.0
[M]+ 237.88493 156.7
[M]- 237.88603 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

patents stripe