CID 195402

124522-09-4

Structural Information

Molecular Formula

C₁₀H₈BrNO₃

SMILES

COC1=CC2=C(C=C1)N=C(C(=O)O2)CBr

InChI

InChI=1S/C10H8BrNO3/c1-14-6-2-3-7-9(4-6)15-10(13)8(5-11)12-7/h2-4H,5H2,1H3

InChIKey

XFCZURAACWKKIH-UHFFFAOYSA-N

Compound name

3-(bromomethyl)-7-methoxy-1,4-benzoxazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 96
Patents: 268.96875 Da
Monoisotopic Mass: 2.0
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]+	269.97603	145.7
[M+Na]+	291.95797	151.4
[M+NH4]+	287.00257	150.4
[M+K]+	307.93191	151.3
[M-H]-	267.96147	147.4
[M+Na-2H]-	289.94342	149.3
[M]+	268.96820	145.9
[M]-	268.96930	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe