CID 2802397

Methyl p-bromodithiocarbanilate

Structural Information

Molecular Formula

C₈H₈BrNS₂

SMILES

CSC(=S)NC1=CC=C(C=C1)Br

InChI

InChI=1S/C8H8BrNS2/c1-12-8(11)10-7-4-2-6(9)3-5-7/h2-5H,1H3,(H,10,11)

InChIKey

PDHYVPIEZSMJRO-UHFFFAOYSA-N

Compound name

methyl N-(4-bromophenyl)carbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 260.92816 Da
Monoisotopic Mass: 3.3
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]+	261.93544	129.8
[M+Na]+	283.91738	141.9
[M-H]-	259.92088	136.3
[M+NH4]+	278.96198	151.1
[M+K]+	299.89132	128.0
[M+H-H2O]+	243.92542	130.0
[M+HCOO]-	305.92636	142.0
[M+CH3COO]-	319.94201	191.4
[M+Na-2H]-	281.90283	134.5
[M]+	260.92761	148.9
[M]-	260.92871	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe