CID 2404883

22504-08-1

Structural Information

Molecular Formula

C₁₄H₁₂ClNOS

SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)CCl

InChI

InChI=1S/C14H12ClNOS/c15-10-14(17)16-12-8-4-5-9-13(12)18-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)

InChIKey

NSQCHYBQXPMOKS-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-phenylsulfanylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 2
Patents: 277.0328 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]+	278.04008	158.9
[M+Na]+	300.02202	166.7
[M-H]-	276.02552	165.7
[M+NH4]+	295.06662	176.0
[M+K]+	315.99596	160.4
[M+H-H2O]+	260.03006	152.5
[M+HCOO]-	322.03100	174.1
[M+CH3COO]-	336.04665	196.8
[M+Na-2H]-	298.00747	162.2
[M]+	277.03225	162.1
[M]-	277.03335	162.1

Literature stripe

literature stripe

Patent stripe

patents stripe