CID 16227704

929974-99-2

Structural Information

Molecular Formula
C12H10FNO3S
SMILES
C1=CC(=CC=C1OCC2=NC(=CS2)CC(=O)O)F
InChI
InChI=1S/C12H10FNO3S/c13-8-1-3-10(4-2-8)17-6-11-14-9(7-18-11)5-12(15)16/h1-4,7H,5-6H2,(H,15,16)
InChIKey
PYFGUQFDSHGREN-UHFFFAOYSA-N
Compound name
2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.03653 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.04381 158.1
[M+Na]+ 290.02575 168.9
[M+NH4]+ 285.07035 164.8
[M+K]+ 305.99969 163.1
[M-H]- 266.02925 158.6
[M+Na-2H]- 288.01120 163.2
[M]+ 267.03598 160.0
[M]- 267.03708 160.0
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.