CID 120340

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

Structural Information

Molecular Formula

C₉H₆ClNO₂

SMILES

CC1=NC2=C(C=CC(=C2)Cl)C(=O)O1

InChI

InChI=1S/C9H6ClNO2/c1-5-11-8-4-6(10)2-3-7(8)9(12)13-5/h2-4H,1H3

InChIKey

KLQIQAQXHDSJFH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 26
Patents: 195.00871 Da
Monoisotopic Mass: 1.9
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]+	196.01599	133.9
[M+Na]+	217.99793	151.2
[M+NH4]+	213.04253	143.5
[M+K]+	233.97187	143.8
[M-H]-	194.00143	138.0
[M+Na-2H]-	215.98338	141.9
[M]+	195.00816	138.1
[M]-	195.00926	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe