CID 777796

(2-methylbenzimidazolyl)methylthiomethane-1-thione

Structural Information

Molecular Formula

C₁₀H₁₀N₂S₂

SMILES

CC1=NC2=CC=CC=C2N1C(=S)SC

InChI

InChI=1S/C10H10N2S2/c1-7-11-8-5-3-4-6-9(8)12(7)10(13)14-2/h3-6H,1-2H3

InChIKey

FTFZUIXUESLUPI-UHFFFAOYSA-N

Compound name

methyl 2-methylbenzimidazole-1-carbodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 222.02853 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]+	223.03581	143.5
[M+Na]+	245.01775	156.1
[M-H]-	221.02125	146.7
[M+NH4]+	240.06235	164.0
[M+K]+	260.99169	151.0
[M+H-H2O]+	205.02579	138.2
[M+HCOO]-	267.02673	156.0
[M+CH3COO]-	281.04238	157.1
[M+Na-2H]-	243.00320	144.7
[M]+	222.02798	148.7
[M]-	222.02908	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe