CID 11084502

3-chloro-2h-benzo[b][1,4]oxazin-2-one

Structural Information

Molecular Formula

C₈H₄ClNO₂

SMILES

C1=CC=C2C(=C1)N=C(C(=O)O2)Cl

InChI

InChI=1S/C8H4ClNO2/c9-7-8(11)12-6-4-2-1-3-5(6)10-7/h1-4H

InChIKey

FLFBJLVWUWOFTE-UHFFFAOYSA-N

Compound name

3-chloro-1,4-benzoxazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 180.99306 Da
Monoisotopic Mass: 2.3
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]+	182.00034	129.4
[M+Na]+	203.98228	146.5
[M+NH4]+	199.02688	139.1
[M+K]+	219.95622	139.1
[M-H]-	179.98578	133.5
[M+Na-2H]-	201.96773	137.9
[M]+	180.99251	133.5
[M]-	180.99361	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe