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 150.9
[M+Na]+ 276.01011 160.4
[M-H]- 252.01361 154.7
[M+NH4]+ 271.05471 168.4
[M+K]+ 291.98405 156.6
[M+H-H2O]+ 236.01815 143.5
[M+HCOO]- 298.01909 168.1
[M+CH3COO]- 312.03474 187.8
[M+Na-2H]- 273.99556 151.6
[M]+ 253.02034 153.6
[M]- 253.02144 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.