CID 44669111

2-chloro-n-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide

Structural Information

Molecular Formula

C₁₀H₈ClN₃OS

SMILES

C1=CC=C(C=C1)C2=NC(=NS2)NC(=O)CCl

InChI

InChI=1S/C10H8ClN3OS/c11-6-8(15)12-10-13-9(16-14-10)7-4-2-1-3-5-7/h1-5H,6H2,(H,12,14,15)

InChIKey

VUNFVGABWSAHLZ-UHFFFAOYSA-N

Compound name

2-chloro-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 253.00766 Da
Monoisotopic Mass: 2.5
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]+	254.014936	151.8
[M+Na]+	275.996878	161.5
[M-H]-	252.000384	156.6
[M+NH4]+	271.041483	169.1
[M+K]+	291.970818	156.3
[M+H-H2O]+	236.004920	144.6
[M+HCOO]-	298.005861	166.5
[M+CH3COO]-	312.021511	164.3
[M+Na-2H]-	273.982326	154.4
[M]+	253.00711142	155.2
[M]-	253.00820858	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.