CID 155821461

2445784-19-8

Structural Information

Molecular Formula
C9H7BrO3S
SMILES
CCOC(=O)C1=CC2=C(S1)C=C(O2)Br
InChI
InChI=1S/C9H7BrO3S/c1-2-12-9(11)7-3-5-6(14-7)4-8(10)13-5/h3-4H,2H2,1H3
InChIKey
KTPWCIUTPSRICQ-UHFFFAOYSA-N
Compound name
ethyl 2-bromothieno[3,2-b]furan-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.92993 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.93721 147.9
[M+Na]+ 296.91915 163.4
[M-H]- 272.92265 157.5
[M+NH4]+ 291.96375 172.5
[M+K]+ 312.89309 154.4
[M+H-H2O]+ 256.92719 150.3
[M+HCOO]- 318.92813 167.2
[M+CH3COO]- 332.94378 190.3
[M+Na-2H]- 294.90460 152.3
[M]+ 273.92938 174.4
[M]- 273.93048 174.4
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.