CID 16768534

2-fluoro-4-(thiophen-2-yl)benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

222.01508 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.022356 143.9
[M+Na]+ 245.004298 153.6
[M-H]- 221.007804 149.1
[M+NH4]+ 240.048903 164.1
[M+K]+ 260.978238 149.4
[M+H-H2O]+ 205.012340 137.6
[M+HCOO]- 267.013281 162.1
[M+CH3COO]- 281.028931 183.1
[M+Na-2H]- 242.989746 144.5
[M]+ 222.01453142 144.7
[M]- 222.01562858 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