CID 71755652

6-bromo-2,7-dimethyl-3,4-dihydro-2h-1,4-benzoxazin-3-one

Structural Information

Molecular Formula

C₁₀H₁₀BrNO₂

SMILES

CC1C(=O)NC2=C(O1)C=C(C(=C2)Br)C

InChI

InChI=1S/C10H10BrNO2/c1-5-3-9-8(4-7(5)11)12-10(13)6(2)14-9/h3-4,6H,1-2H3,(H,12,13)

InChIKey

AHCXBRLGNAUEBO-UHFFFAOYSA-N

Compound name

6-bromo-2,7-dimethyl-4H-1,4-benzoxazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 254.98949 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]+	255.996766	147.0
[M+Na]+	277.978708	159.6
[M-H]-	253.982214	152.6
[M+NH4]+	273.023313	166.1
[M+K]+	293.952648	149.0
[M+H-H2O]+	237.986750	147.0
[M+HCOO]-	299.987691	162.8
[M+CH3COO]-	314.003341	190.5
[M+Na-2H]-	275.964156	154.2
[M]+	254.98894142	164.9
[M]-	254.99003858	164.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.