CID 21950574

5-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxylic acid

Structural Information

Molecular Formula
C12H7F3O3S
SMILES
C1=CC(=CC(=C1)OC(F)(F)F)C2=CC=C(S2)C(=O)O
InChI
InChI=1S/C12H7F3O3S/c13-12(14,15)18-8-3-1-2-7(6-8)9-4-5-10(19-9)11(16)17/h1-6H,(H,16,17)
InChIKey
QXAXDPBEGZAJOF-UHFFFAOYSA-N
Compound name
5-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

288.0068 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.01408 164.8
[M+Na]+ 310.99602 172.9
[M+NH4]+ 306.04062 170.0
[M+K]+ 326.96996 168.3
[M-H]- 286.99952 162.3
[M+Na-2H]- 308.98147 168.2
[M]+ 288.00625 165.3
[M]- 288.00735 165.3
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