CID 21950707

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 143.9
[M+Na]+ 245.00430 153.6
[M-H]- 221.00780 149.1
[M+NH4]+ 240.04890 164.1
[M+K]+ 260.97824 149.4
[M+H-H2O]+ 205.01234 137.6
[M+HCOO]- 267.01328 162.1
[M+CH3COO]- 281.02893 183.1
[M+Na-2H]- 242.98975 144.5
[M]+ 222.01453 144.7
[M]- 222.01563 144.7
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