CID 13567982

Ethyl 6-bromo-1-benzothiophene-2-carboxylate

Structural Information

Molecular Formula
C11H9BrO2S
SMILES
CCOC(=O)C1=CC2=C(S1)C=C(C=C2)Br
InChI
InChI=1S/C11H9BrO2S/c1-2-14-11(13)10-5-7-3-4-8(12)6-9(7)15-10/h3-6H,2H2,1H3
InChIKey
QNZMCEMVNKFVOA-UHFFFAOYSA-N
Compound name
ethyl 6-bromo-1-benzothiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

283.95065 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.957926 148.1
[M+Na]+ 306.939868 162.6
[M-H]- 282.943374 156.6
[M+NH4]+ 301.984473 171.8
[M+K]+ 322.913808 151.2
[M+H-H2O]+ 266.947910 149.4
[M+HCOO]- 328.948851 166.6
[M+CH3COO]- 342.964501 193.6
[M+Na-2H]- 304.925316 153.1
[M]+ 283.95010142 172.8
[M]- 283.95119858 172.8
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