CID 3050393

Benzimidazole, 1-vinyl-2-(vinylthio)-, hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₀N₂S

SMILES

C=CN1C2=CC=CC=C2N=C1SC=C

InChI

InChI=1S/C11H10N2S/c1-3-13-10-8-6-5-7-9(10)12-11(13)14-4-2/h3-8H,1-2H2

InChIKey

MAIOQASXPBJCMY-UHFFFAOYSA-N

Compound name

1-ethenyl-2-ethenylsulfanylbenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 202.05647 Da
Monoisotopic Mass: 3.4
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]+	203.063746	141.5
[M+Na]+	225.045688	153.9
[M-H]-	201.049194	144.5
[M+NH4]+	220.090293	162.3
[M+K]+	241.019628	148.5
[M+H-H2O]+	185.053730	135.3
[M+HCOO]-	247.054671	160.4
[M+CH3COO]-	261.070321	155.6
[M+Na-2H]-	223.031136	145.4
[M]+	202.05592142	146.1
[M]-	202.05701858	146.1

Literature stripe

literature stripe

Patent stripe

patents stripe