CID 24834851

5,6-dichloro-1-methyl-2,3-dihydro-1h-1,3-benzodiazol-2-one

Structural Information

Molecular Formula

C₈H₆Cl₂N₂O

SMILES

CN1C2=CC(=C(C=C2NC1=O)Cl)Cl

InChI

InChI=1S/C8H6Cl2N2O/c1-12-7-3-5(10)4(9)2-6(7)11-8(12)13/h2-3H,1H3,(H,11,13)

InChIKey

DSAGNUWLILOLPG-UHFFFAOYSA-N

Compound name

5,6-dichloro-3-methyl-1H-benzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 215.98572 Da
Monoisotopic Mass: 2.0
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]+	216.992996	138.8
[M+Na]+	238.974938	153.5
[M-H]-	214.978444	140.1
[M+NH4]+	234.019543	159.2
[M+K]+	254.948878	146.8
[M+H-H2O]+	198.982980	133.9
[M+HCOO]-	260.983921	152.0
[M+CH3COO]-	274.999571	152.9
[M+Na-2H]-	236.960386	144.3
[M]+	215.98517142	143.5
[M]-	215.98626858	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe