CID 4097298

N-(4-bromo-3-methylphenyl)-2-[(4-bromophenyl)sulfanyl]acetamide

Structural Information

Molecular Formula

C₁₅H₁₃Br₂NOS

SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=CC=C(C=C2)Br)Br

InChI

InChI=1S/C15H13Br2NOS/c1-10-8-12(4-7-14(10)17)18-15(19)9-20-13-5-2-11(16)3-6-13/h2-8H,9H2,1H3,(H,18,19)

InChIKey

GDJLZDMWHBFOBC-UHFFFAOYSA-N

Compound name

N-(4-bromo-3-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 412.90845 Da
Monoisotopic Mass: 5.7
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]+	413.915726	155.0
[M+Na]+	435.897668	165.2
[M-H]-	411.901174	164.1
[M+NH4]+	430.942273	171.0
[M+K]+	451.871608	148.0
[M+H-H2O]+	395.905710	162.0
[M+HCOO]-	457.906651	167.5
[M+CH3COO]-	471.922301	220.2
[M+Na-2H]-	433.883116	159.4
[M]+	412.90790142	190.6
[M]-	412.90899858	190.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.