CID 4980313

2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetic acid

Structural Information

Molecular Formula
C11H7Cl2NO2S
SMILES
C1=CC(=C(C=C1Cl)Cl)C2=NC(=CS2)CC(=O)O
InChI
InChI=1S/C11H7Cl2NO2S/c12-6-1-2-8(9(13)3-6)11-14-7(5-17-11)4-10(15)16/h1-3,5H,4H2,(H,15,16)
InChIKey
XSZXHVFNMYQPOI-UHFFFAOYSA-N
Compound name
2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.95746 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.96474 156.9
[M+Na]+ 309.94668 168.2
[M-H]- 285.95018 161.8
[M+NH4]+ 304.99128 174.7
[M+K]+ 325.92062 161.7
[M+H-H2O]+ 269.95472 152.2
[M+HCOO]- 331.95566 165.1
[M+CH3COO]- 345.97131 192.5
[M+Na-2H]- 307.93213 156.2
[M]+ 286.95691 162.4
[M]- 286.95801 162.4
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.