CID 30631

21441-00-9

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₂

SMILES

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

InChI

InChI=1S/C10H10ClNO2/c1-10(2)7-5-6(11)3-4-8(7)12-9(13)14-10/h3-5H,1-2H3,(H,12,13)

InChIKey

SHGXSFRQFGAMKD-UHFFFAOYSA-N

Compound name

6-chloro-4,4-dimethyl-1H-3,1-benzoxazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 211.04001 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]+	212.04729	140.6
[M+Na]+	234.02923	151.5
[M-H]-	210.03273	143.6
[M+NH4]+	229.07383	160.6
[M+K]+	250.00317	147.9
[M+H-H2O]+	194.03727	135.8
[M+HCOO]-	256.03821	154.2
[M+CH3COO]-	270.05386	182.6
[M+Na-2H]-	232.01468	148.6
[M]+	211.03946	141.8
[M]-	211.04056	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe