CID 135621451

86984-20-5

Structural Information

Molecular Formula

C₁₀H₇ClN₂O

SMILES

C1=CC=C(C=C1)C2=CC(=O)NC(=N2)Cl

InChI

InChI=1S/C10H7ClN2O/c11-10-12-8(6-9(14)13-10)7-4-2-1-3-5-7/h1-6H,(H,12,13,14)

InChIKey

KZICQWCTHPUYDT-UHFFFAOYSA-N

Compound name

2-chloro-4-phenyl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 206.02469 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]+	207.03197	140.3
[M+Na]+	229.01391	157.2
[M+NH4]+	224.05851	149.0
[M+K]+	244.98785	149.1
[M-H]-	205.01741	143.7
[M+Na-2H]-	226.99936	150.6
[M]+	206.02414	144.1
[M]-	206.02524	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe