CID 4980720

876866-75-0

Structural Information

Molecular Formula
C12H10ClNO3S
SMILES
C1=CC(=CC=C1OCC2=NC(=CS2)CC(=O)O)Cl
InChI
InChI=1S/C12H10ClNO3S/c13-8-1-3-10(4-2-8)17-6-11-14-9(7-18-11)5-12(15)16/h1-4,7H,5-6H2,(H,15,16)
InChIKey
IYHBMODYRFZOHK-UHFFFAOYSA-N
Compound name
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.007 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.01428 159.1
[M+Na]+ 305.99622 168.7
[M-H]- 281.99972 164.0
[M+NH4]+ 301.04082 176.2
[M+K]+ 321.97016 163.6
[M+H-H2O]+ 266.00426 153.1
[M+HCOO]- 328.00520 172.3
[M+CH3COO]- 342.02085 191.8
[M+Na-2H]- 303.98167 159.3
[M]+ 283.00645 165.0
[M]- 283.00755 165.0
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.