CID 165997422

1-(5-bromo-2-iodothiophen-3-yl)ethan-1-one

Structural Information

Molecular Formula
C6H4BrIOS
SMILES
CC(=O)C1=C(SC(=C1)Br)I
InChI
InChI=1S/C6H4BrIOS/c1-3(9)4-2-5(7)10-6(4)8/h2H,1H3
InChIKey
YDXVUXGYSLGBIX-UHFFFAOYSA-N
Compound name
1-(5-bromo-2-iodothiophen-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.8211 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.82838 141.0
[M+Na]+ 352.81032 148.3
[M-H]- 328.81382 141.9
[M+NH4]+ 347.85492 160.9
[M+K]+ 368.78426 143.3
[M+H-H2O]+ 312.81836 138.7
[M+HCOO]- 374.81930 154.5
[M+CH3COO]- 388.83495 191.9
[M+Na-2H]- 350.79577 133.0
[M]+ 329.82055 158.7
[M]- 329.82165 158.7
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.