CID 37413

2-imidazoline, 2-(p-chlorophenacylthio)-, hydrobromide

Structural Information

Molecular Formula

C₁₁H₁₁ClN₂S

SMILES

C1CN=C(N1)CC(=S)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H11ClN2S/c12-9-3-1-8(2-4-9)10(15)7-11-13-5-6-14-11/h1-4H,5-7H2,(H,13,14)

InChIKey

AQAQPHCGDIISPR-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanethione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 238.03314 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]+	239.040416	150.5
[M+Na]+	261.022358	159.2
[M-H]-	237.025864	153.4
[M+NH4]+	256.066963	168.0
[M+K]+	276.996298	152.9
[M+H-H2O]+	221.030400	143.8
[M+HCOO]-	283.031341	160.7
[M+CH3COO]-	297.046991	162.0
[M+Na-2H]-	259.007806	150.4
[M]+	238.03259142	150.4
[M]-	238.03368858	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.