CID 137935579

2248380-60-9

Structural Information

Molecular Formula
C10H9BrO2S2
SMILES
CCOC(=O)C1=CC2=C(S1)C=C(S2)CBr
InChI
InChI=1S/C10H9BrO2S2/c1-2-13-10(12)9-4-8-7(15-9)3-6(5-11)14-8/h3-4H,2,5H2,1H3
InChIKey
FWKSAWOCDHGJFV-UHFFFAOYSA-N
Compound name
ethyl 2-(bromomethyl)thieno[3,2-b]thiophene-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.92273 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.93001 143.9
[M+Na]+ 326.91195 145.7
[M+NH4]+ 321.95655 149.7
[M+K]+ 342.88589 145.8
[M-H]- 302.91545 144.3
[M+Na-2H]- 324.89740 145.2
[M]+ 303.92218 143.9
[M]- 303.92328 143.9
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.