CID 104368048

1564655-42-0

Structural Information

Molecular Formula
C11H7FO3S
SMILES
C1=CC(=CC=C1OC2=CSC(=C2)C(=O)O)F
InChI
InChI=1S/C11H7FO3S/c12-7-1-3-8(4-2-7)15-9-5-10(11(13)14)16-6-9/h1-6H,(H,13,14)
InChIKey
ZBEYDNRUDRDBQB-UHFFFAOYSA-N
Compound name
4-(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

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.01728 147.3
[M+Na]+ 260.99922 156.8
[M-H]- 237.00272 152.5
[M+NH4]+ 256.04382 166.7
[M+K]+ 276.97316 153.2
[M+H-H2O]+ 221.00726 140.8
[M+HCOO]- 283.00820 165.7
[M+CH3COO]- 297.02385 185.2
[M+Na-2H]- 258.98467 148.0
[M]+ 238.00945 149.5
[M]- 238.01055 149.5
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.