CID 64081527

1339610-81-9

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂O

SMILES

CN1C2=C(C=C(C=C2)CCl)N(C1=O)C

InChI

InChI=1S/C10H11ClN2O/c1-12-8-4-3-7(6-11)5-9(8)13(2)10(12)14/h3-5H,6H2,1-2H3

InChIKey

JHKSBQYGZMOPOK-UHFFFAOYSA-N

Compound name

5-(chloromethyl)-1,3-dimethylbenzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 210.05598 Da
Monoisotopic Mass: 1.8
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]+	211.06326	140.8
[M+Na]+	233.04520	157.0
[M+NH4]+	228.08980	149.7
[M+K]+	249.01914	151.0
[M-H]-	209.04870	142.5
[M+Na-2H]-	231.03065	147.5
[M]+	210.05543	144.0
[M]-	210.05653	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe