CID 79602895

Ethyl 2-(4-bromothiophen-3-yl)acetate

Structural Information

Molecular Formula
C8H9BrO2S
SMILES
CCOC(=O)CC1=CSC=C1Br
InChI
InChI=1S/C8H9BrO2S/c1-2-11-8(10)3-6-4-12-5-7(6)9/h4-5H,2-3H2,1H3
InChIKey
FYKINVHOLOJQML-UHFFFAOYSA-N
Compound name
ethyl 2-(4-bromothiophen-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.95065 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.95793 139.0
[M+Na]+ 270.93987 140.5
[M+NH4]+ 265.98447 144.0
[M+K]+ 286.91381 141.0
[M-H]- 246.94337 138.7
[M+Na-2H]- 268.92532 140.8
[M]+ 247.95010 138.2
[M]- 247.95120 138.2
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.