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]+ 254.028166 150.9
[M+Na]+ 276.010108 160.4
[M-H]- 252.013614 154.7
[M+NH4]+ 271.054713 168.4
[M+K]+ 291.984048 156.6
[M+H-H2O]+ 236.018150 143.5
[M+HCOO]- 298.019091 168.1
[M+CH3COO]- 312.034741 187.8
[M+Na-2H]- 273.995556 151.6
[M]+ 253.02034142 153.6
[M]- 253.02143858 153.6
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.