CID 4980827

187998-93-2

Structural Information

Molecular Formula
C12H10ClNO3S
SMILES
CC1=C(SC(=N1)COC2=CC=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C12H10ClNO3S/c1-7-11(12(15)16)18-10(14-7)6-17-9-4-2-8(13)3-5-9/h2-5H,6H2,1H3,(H,15,16)
InChIKey
WLJAYARWCGSCFD-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

283.007 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.01428 160.5
[M+Na]+ 305.99622 173.6
[M+NH4]+ 301.04082 168.3
[M+K]+ 321.97016 167.0
[M-H]- 281.99972 162.7
[M+Na-2H]- 303.98167 166.4
[M]+ 283.00645 163.6
[M]- 283.00755 163.6
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