CID 162516

42445-58-9

Structural Information

Molecular Formula
C12H10ClNO3S
SMILES
CC(C(=O)O)OC1=NC(=CS1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H10ClNO3S/c1-7(11(15)16)17-12-14-10(6-18-12)8-2-4-9(13)5-3-8/h2-7H,1H3,(H,15,16)
InChIKey
LVROGXYIHZQYHA-UHFFFAOYSA-N
Compound name
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]oxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.007 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.01428 159.8
[M+Na]+ 305.99622 172.2
[M+NH4]+ 301.04082 167.6
[M+K]+ 321.97016 166.4
[M-H]- 281.99972 161.8
[M+Na-2H]- 303.98167 165.7
[M]+ 283.00645 162.8
[M]- 283.00755 162.8
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.