CID 21950444

5-(3-fluorophenyl)thiophene-2-carboxylic acid

Structural Information

Molecular Formula
C11H7FO2S
SMILES
C1=CC(=CC(=C1)F)C2=CC=C(S2)C(=O)O
InChI
InChI=1S/C11H7FO2S/c12-8-3-1-2-7(6-8)9-4-5-10(15-9)11(13)14/h1-6H,(H,13,14)
InChIKey
WLBXMBPSORBEAK-UHFFFAOYSA-N
Compound name
5-(3-fluorophenyl)thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

222.01508 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.02236 146.6
[M+Na]+ 245.00430 158.4
[M+NH4]+ 240.04890 154.9
[M+K]+ 260.97824 152.0
[M-H]- 221.00780 148.5
[M+Na-2H]- 242.98975 152.9
[M]+ 222.01453 149.1
[M]- 222.01563 149.1
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