CID 118278506

1206977-63-0

Structural Information

Molecular Formula

C₇H₅ClN₂O₂

SMILES

C1C(=O)NC2=CN=C(C=C2O1)Cl

InChI

InChI=1S/C7H5ClN2O2/c8-6-1-5-4(2-9-6)10-7(11)3-12-5/h1-2H,3H2,(H,10,11)

InChIKey

XSXCAGMINNETDK-UHFFFAOYSA-N

Compound name

7-chloro-4H-pyrido[4,3-b][1,4]oxazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 184.00395 Da
Monoisotopic Mass: 0.8
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]+	185.01123	132.8
[M+Na]+	206.99317	142.9
[M-H]-	182.99667	133.8
[M+NH4]+	202.03777	149.9
[M+K]+	222.96711	139.6
[M+H-H2O]+	167.00121	126.4
[M+HCOO]-	229.00215	145.9
[M+CH3COO]-	243.01780	145.6
[M+Na-2H]-	204.97862	141.6
[M]+	184.00340	132.5
[M]-	184.00450	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe