CID 51064055

5-chloro-6-fluoro-2,3-dihydro-1h-1,3-benzodiazol-2-one

Structural Information

Molecular Formula

C₇H₄ClFN₂O

SMILES

C1=C2C(=CC(=C1F)Cl)NC(=O)N2

InChI

InChI=1S/C7H4ClFN2O/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,(H2,10,11,12)

InChIKey

MLLYPEORWDUMKB-UHFFFAOYSA-N

Compound name

5-chloro-6-fluoro-1,3-dihydrobenzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 185.99962 Da
Monoisotopic Mass: 1.3
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]+	187.006896	130.1
[M+Na]+	208.988838	143.9
[M-H]-	184.992344	129.3
[M+NH4]+	204.033443	150.4
[M+K]+	224.962778	137.2
[M+H-H2O]+	168.996880	124.1
[M+HCOO]-	230.997821	146.5
[M+CH3COO]-	245.013471	144.0
[M+Na-2H]-	206.974286	136.8
[M]+	185.99907142	130.4
[M]-	186.00016858	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe