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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.