CID 131989180

Methyl 5-(trifluoromethyl)thieno[3,2-b]thiophene-2-carboxylate

Structural Information

Molecular Formula
C9H5F3O2S2
SMILES
COC(=O)C1=CC2=C(S1)C=C(S2)C(F)(F)F
InChI
InChI=1S/C9H5F3O2S2/c1-14-8(13)6-2-4-5(15-6)3-7(16-4)9(10,11)12/h2-3H,1H3
InChIKey
ONOSOEUAFOUSDI-UHFFFAOYSA-N
Compound name
methyl 5-(trifluoromethyl)thieno[3,2-b]thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

265.9683 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.97558 151.0
[M+Na]+ 288.95752 163.5
[M-H]- 264.96102 153.2
[M+NH4]+ 284.00212 173.6
[M+K]+ 304.93146 159.9
[M+H-H2O]+ 248.96556 145.3
[M+HCOO]- 310.96650 162.8
[M+CH3COO]- 324.98215 190.8
[M+Na-2H]- 286.94297 150.4
[M]+ 265.96775 155.2
[M]- 265.96885 155.2
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