CID 43140175

2-(2,4-dichlorophenyl)thiazole-4-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₅Cl₂NO₂S

SMILES

C1=CC(=C(C=C1Cl)Cl)C2=NC(=CS2)C(=O)O

InChI

InChI=1S/C10H5Cl2NO2S/c11-5-1-2-6(7(12)3-5)9-13-8(4-16-9)10(14)15/h1-4H,(H,14,15)

InChIKey

BAMRISRVXZTIMQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 272.9418 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe