CID 65813927

3-(3,4-dichlorophenyl)-1,2-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C10H5Cl2NO2S
SMILES
C1=CC(=C(C=C1C2=NSC(=C2)C(=O)O)Cl)Cl
InChI
InChI=1S/C10H5Cl2NO2S/c11-6-2-1-5(3-7(6)12)8-4-9(10(14)15)16-13-8/h1-4H,(H,14,15)
InChIKey
QTLIDVLLXZMPJE-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-1,2-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.9418 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.94908 152.4
[M+Na]+ 295.93102 164.1
[M-H]- 271.93452 157.5
[M+NH4]+ 290.97562 170.8
[M+K]+ 311.90496 157.9
[M+H-H2O]+ 255.93906 148.0
[M+HCOO]- 317.94000 161.0
[M+CH3COO]- 331.95565 165.3
[M+Na-2H]- 293.91647 152.2
[M]+ 272.94125 157.6
[M]- 272.94235 157.6
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

No patent data available for this compound.