CID 17499420

2-(4-chlorophenoxymethyl)-1,3-thiazole-4-carboxylic acid

Structural Information

Molecular Formula
C11H8ClNO3S
SMILES
C1=CC(=CC=C1OCC2=NC(=CS2)C(=O)O)Cl
InChI
InChI=1S/C11H8ClNO3S/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
UOTHAPWMGICKEA-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

268.99133 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.99861 155.8
[M+Na]+ 291.98055 168.7
[M+NH4]+ 287.02515 163.8
[M+K]+ 307.95449 162.2
[M-H]- 267.98405 158.0
[M+Na-2H]- 289.96600 162.2
[M]+ 268.99078 158.9
[M]- 268.99188 158.9
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