CID 6481035

Akos000212446

Structural Information

Molecular Formula

C₁₁H₉ClN₂O₂S

SMILES

CC1=CSC(=N1)NC(=O)C2=C(C=C(C=C2)Cl)O

InChI

InChI=1S/C11H9ClN2O2S/c1-6-5-17-11(13-6)14-10(16)8-3-2-7(12)4-9(8)15/h2-5,15H,1H3,(H,13,14,16)

InChIKey

UPCGIPHLVDKRIB-UHFFFAOYSA-N

Compound name

4-chloro-2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 268.00732 Da
Monoisotopic Mass: 3.3
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]+	269.014596	155.9
[M+Na]+	290.996538	166.1
[M-H]-	267.000044	161.3
[M+NH4]+	286.041143	173.8
[M+K]+	306.970478	160.5
[M+H-H2O]+	251.004580	150.2
[M+HCOO]-	313.005521	170.2
[M+CH3COO]-	327.021171	192.3
[M+Na-2H]-	288.981986	156.5
[M]+	268.00677142	159.7
[M]-	268.00786858	159.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.