CID 309259

7652-29-1

Structural Information

Molecular Formula

C₈H₆ClNO₂

SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)Cl

InChI

InChI=1S/C8H6ClNO2/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4H2,(H,10,11)

InChIKey

OBPIPKQQNRACHV-UHFFFAOYSA-N

Compound name

6-chloro-4H-1,4-benzoxazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 155
Patents: 183.00871 Da
Monoisotopic Mass: 1.5
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]+	184.01599	132.5
[M+Na]+	205.99793	147.2
[M+NH4]+	201.04253	141.7
[M+K]+	221.97187	140.5
[M-H]-	182.00143	135.6
[M+Na-2H]-	203.98338	138.5
[M]+	183.00816	135.8
[M]-	183.00926	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe