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 149.5
[M+Na]+ 326.91195 165.5
[M-H]- 302.91545 158.4
[M+NH4]+ 321.95655 174.7
[M+K]+ 342.88589 153.9
[M+H-H2O]+ 286.91999 152.1
[M+HCOO]- 348.92093 164.1
[M+CH3COO]- 362.93658 195.5
[M+Na-2H]- 324.89740 151.7
[M]+ 303.92218 175.6
[M]- 303.92328 175.6
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.