CID 3008087

8-cl-2-et-d-diboa

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₃

SMILES

CCC1C(=O)N(C2=C(O1)C(=CC=C2)Cl)O

InChI

InChI=1S/C10H10ClNO3/c1-2-8-10(13)12(14)7-5-3-4-6(11)9(7)15-8/h3-5,8,14H,2H2,1H3

InChIKey

RNCNJTOEZJHMGO-UHFFFAOYSA-N

Compound name

8-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 227.03493 Da
Monoisotopic Mass: 2.1
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]+	228.04221	144.6
[M+Na]+	250.02415	155.3
[M-H]-	226.02765	147.6
[M+NH4]+	245.06875	162.1
[M+K]+	265.99809	152.1
[M+H-H2O]+	210.03219	139.3
[M+HCOO]-	272.03313	158.3
[M+CH3COO]-	286.04878	186.4
[M+Na-2H]-	248.00960	150.7
[M]+	227.03438	147.3
[M]-	227.03548	147.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.