CID 2384590

77711-81-0

Structural Information

Molecular Formula

C₁₄H₁₁Cl₂NOS

SMILES

C1=CC=C(C(=C1)NC(=O)CCl)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H11Cl2NOS/c15-9-14(18)17-12-3-1-2-4-13(12)19-11-7-5-10(16)6-8-11/h1-8H,9H2,(H,17,18)

InChIKey

ZOHWUQLZHKWGQT-UHFFFAOYSA-N

Compound name

2-chloro-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 2
Patents: 310.99384 Da
Monoisotopic Mass: 4.4
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]+	312.00112	164.1
[M+Na]+	333.98306	173.0
[M-H]-	309.98656	170.6
[M+NH4]+	329.02766	180.6
[M+K]+	349.95700	165.7
[M+H-H2O]+	293.99110	158.8
[M+HCOO]-	355.99204	174.2
[M+CH3COO]-	370.00769	202.3
[M+Na-2H]-	331.96851	166.1
[M]+	310.99329	168.9
[M]-	310.99439	168.9

Literature stripe

literature stripe

Patent stripe

patents stripe