CID 43659621

2253630-16-7

Structural Information

Molecular Formula

C₁₁H₁₂Cl₂N₂

SMILES

CC(C)N1C2=C(C=C(C=C2)Cl)N=C1CCl

InChI

InChI=1S/C11H12Cl2N2/c1-7(2)15-10-4-3-8(13)5-9(10)14-11(15)6-12/h3-5,7H,6H2,1-2H3

InChIKey

PCDXAAZHKGWOKK-UHFFFAOYSA-N

Compound name

5-chloro-2-(chloromethyl)-1-propan-2-ylbenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.03775 Da
Monoisotopic Mass: 3.2
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]+	243.045026	150.0
[M+Na]+	265.026968	162.5
[M-H]-	241.030474	151.8
[M+NH4]+	260.071573	169.7
[M+K]+	281.000908	156.3
[M+H-H2O]+	225.035010	143.9
[M+HCOO]-	287.035951	162.3
[M+CH3COO]-	301.051601	163.1
[M+Na-2H]-	263.012416	153.8
[M]+	242.03720142	155.8
[M]-	242.03829858	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.