CID 3063289

100417-10-5

Structural Information

Molecular Formula

C₉H₁₀ClN₃S

SMILES

C1CSC(=N)N1C2=C(C=C(C=C2)Cl)N

InChI

InChI=1S/C9H10ClN3S/c10-6-1-2-8(7(11)5-6)13-3-4-14-9(13)12/h1-2,5,12H,3-4,11H2

InChIKey

YYPCUGJKDYEIHT-UHFFFAOYSA-N

Compound name

5-chloro-2-(2-imino-1,3-thiazolidin-3-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 227.0284 Da
Monoisotopic Mass: 2.0
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]+	228.03568	147.8
[M+Na]+	250.01762	156.9
[M-H]-	226.02112	153.2
[M+NH4]+	245.06222	167.3
[M+K]+	265.99156	151.0
[M+H-H2O]+	210.02566	141.8
[M+HCOO]-	272.02660	162.1
[M+CH3COO]-	286.04225	160.2
[M+Na-2H]-	248.00307	148.1
[M]+	227.02785	145.9
[M]-	227.02895	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe