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

157
Patents

283.95065 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.95793 148.1
[M+Na]+ 306.93987 162.6
[M-H]- 282.94337 156.6
[M+NH4]+ 301.98447 171.8
[M+K]+ 322.91381 151.2
[M+H-H2O]+ 266.94791 149.4
[M+HCOO]- 328.94885 166.6
[M+CH3COO]- 342.96450 193.6
[M+Na-2H]- 304.92532 153.1
[M]+ 283.95010 172.8
[M]- 283.95120 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