CID 727754

420102-86-9

Structural Information

Molecular Formula

C₁₀H₈Cl₂N₂S

SMILES

C1=CC(=C(C=C1CC2=CN=C(S2)N)Cl)Cl

InChI

InChI=1S/C10H8Cl2N2S/c11-8-2-1-6(4-9(8)12)3-7-5-14-10(13)15-7/h1-2,4-5H,3H2,(H2,13,14)

InChIKey

ZGYKWDAYSHDBDW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 257.97852 Da
Monoisotopic Mass: 3.8
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]+	258.98580	152.6
[M+Na]+	280.96774	164.2
[M-H]-	256.97124	158.0
[M+NH4]+	276.01234	171.8
[M+K]+	296.94168	157.2
[M+H-H2O]+	240.97578	147.3
[M+HCOO]-	302.97672	163.2
[M+CH3COO]-	316.99237	165.4
[M+Na-2H]-	278.95319	152.9
[M]+	257.97797	156.2
[M]-	257.97907	156.2

Literature stripe

literature stripe

Patent stripe

patents stripe