CID 12035023

177970-27-3

Structural Information

Molecular Formula

C₉H₆BrNO₃

SMILES

CC1=CC2=C(C(=C1)Br)NC(=O)OC2=O

InChI

InChI=1S/C9H6BrNO3/c1-4-2-5-7(6(10)3-4)11-9(13)14-8(5)12/h2-3H,1H3,(H,11,13)

InChIKey

XDPLOGJWYJBJGE-UHFFFAOYSA-N

Compound name

8-bromo-6-methyl-1H-3,1-benzoxazine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 254.95311 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]+	255.96039	141.0
[M+Na]+	277.94233	146.7
[M+NH4]+	272.98693	145.2
[M+K]+	293.91627	147.2
[M-H]-	253.94583	142.1
[M+Na-2H]-	275.92778	144.0
[M]+	254.95256	140.9
[M]-	254.95366	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe