CID 3531026

Sodium 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetate

Structural Information

Molecular Formula
C11H8FNO2S
SMILES
C1=CC(=CC=C1C2=CSC(=N2)CC(=O)O)F
InChI
InChI=1S/C11H8FNO2S/c12-8-3-1-7(2-4-8)9-6-16-10(13-9)5-11(14)15/h1-4,6H,5H2,(H,14,15)
InChIKey
CLUFEPMQCVLAFO-UHFFFAOYSA-N
Compound name
2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

237.02597 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.033246 147.7
[M+Na]+ 260.015188 157.4
[M-H]- 236.018694 151.5
[M+NH4]+ 255.059793 165.9
[M+K]+ 275.989128 153.1
[M+H-H2O]+ 220.023230 140.4
[M+HCOO]- 282.024171 164.6
[M+CH3COO]- 296.039821 185.7
[M+Na-2H]- 258.000636 148.2
[M]+ 237.02542142 148.9
[M]- 237.02651858 148.9
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

patents stripe