CID 17541243

949980-48-7

Structural Information

Molecular Formula
C11H8FNO3S
SMILES
C1=CC(=CC=C1OCC2=NC(=CS2)C(=O)O)F
InChI
InChI=1S/C11H8FNO3S/c12-7-1-3-8(4-2-7)16-5-10-13-9(6-17-10)11(14)15/h1-4,6H,5H2,(H,14,15)
InChIKey
GSLRUKPYXUKZCK-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.02089 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.02817 153.7
[M+Na]+ 276.01011 164.7
[M+NH4]+ 271.05471 160.6
[M+K]+ 291.98405 159.2
[M-H]- 252.01361 154.3
[M+Na-2H]- 273.99556 159.1
[M]+ 253.02034 155.6
[M]- 253.02144 155.6
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.