CID 197912

Sas-563

Structural Information

Molecular Formula

C₁₄H₁₀ClNO₂

SMILES

C1=CC=C(C=C1)C2C3=C(C=CC(=C3)Cl)NC(=O)O2

InChI

InChI=1S/C14H10ClNO2/c15-10-6-7-12-11(8-10)13(18-14(17)16-12)9-4-2-1-3-5-9/h1-8,13H,(H,16,17)

InChIKey

ZJXNRMOZDFCTMK-UHFFFAOYSA-N

Compound name

6-chloro-4-phenyl-1,4-dihydro-3,1-benzoxazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 259.04 Da
Monoisotopic Mass: 3.4
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]+	260.04728	154.7
[M+Na]+	282.02922	164.2
[M-H]-	258.03272	160.1
[M+NH4]+	277.07382	170.0
[M+K]+	298.00316	158.8
[M+H-H2O]+	242.03726	147.3
[M+HCOO]-	304.03820	168.2
[M+CH3COO]-	318.05385	166.6
[M+Na-2H]-	280.01467	161.4
[M]+	259.03945	154.4
[M]-	259.04055	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe