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

1
Patents

237.02597 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.03325 147.7
[M+Na]+ 260.01519 157.4
[M-H]- 236.01869 151.5
[M+NH4]+ 255.05979 165.9
[M+K]+ 275.98913 153.1
[M+H-H2O]+ 220.02323 140.4
[M+HCOO]- 282.02417 164.6
[M+CH3COO]- 296.03982 185.7
[M+Na-2H]- 258.00064 148.2
[M]+ 237.02542 148.9
[M]- 237.02652 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