CID 14176257

40401-45-4

Structural Information

Molecular Formula

C₈H₇ClN₂O₂

SMILES

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

InChI

InChI=1S/C8H7ClN2O2/c9-4-1-6-7(2-5(4)10)13-3-8(12)11-6/h1-2H,3,10H2,(H,11,12)

InChIKey

RXHIJDUZDJCOAG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 198.0196 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]+	199.02688	136.9
[M+Na]+	221.00882	150.4
[M+NH4]+	216.05342	145.4
[M+K]+	236.98276	144.5
[M-H]-	197.01232	140.1
[M+Na-2H]-	218.99427	141.8
[M]+	198.01905	139.9
[M]-	198.02015	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe