CID 104368049

1566529-89-2

Structural Information

Molecular Formula
C11H7FO3S
SMILES
C1=CC(=CC=C1OC2=CC=C(S2)C(=O)O)F
InChI
InChI=1S/C11H7FO3S/c12-7-1-3-8(4-2-7)15-10-6-5-9(16-10)11(13)14/h1-6H,(H,13,14)
InChIKey
SHBOKBQNEMNIOW-UHFFFAOYSA-N
Compound name
5-(4-fluorophenoxy)thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.01 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.01728 149.9
[M+Na]+ 260.99922 161.2
[M+NH4]+ 256.04382 157.7
[M+K]+ 276.97316 155.4
[M-H]- 237.00272 151.3
[M+Na-2H]- 258.98467 155.8
[M]+ 238.00945 152.2
[M]- 238.01055 152.2
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

No patent data available for this compound.