CID 3412523

2377035-17-9

Structural Information

Molecular Formula

C₁₁H₇Cl₂NO₂S

SMILES

C1=CC(=C(C=C1Cl)C2=CSC(=N2)CC(=O)O)Cl

InChI

InChI=1S/C11H7Cl2NO2S/c12-6-1-2-8(13)7(3-6)9-5-17-10(14-9)4-11(15)16/h1-3,5H,4H2,(H,15,16)

InChIKey

WDBAMISJJOVPEV-UHFFFAOYSA-N

Compound name

2-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-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

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]+	287.964736	156.9
[M+Na]+	309.946678	168.2
[M-H]-	285.950184	161.8
[M+NH4]+	304.991283	174.7
[M+K]+	325.920618	161.7
[M+H-H2O]+	269.954720	152.2
[M+HCOO]-	331.955661	165.1
[M+CH3COO]-	345.971311	192.5
[M+Na-2H]-	307.932126	156.2
[M]+	286.95691142	162.4
[M]-	286.95800858	162.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.