CID 137928374

2248301-65-5

Structural Information

Molecular Formula

C₈H₃BrF₂N₂O₂

SMILES

C1=C2C(=C(C(=C1F)Br)F)NC(=O)NC2=O

InChI

InChI=1S/C8H3BrF2N2O2/c9-4-3(10)1-2-6(5(4)11)12-8(15)13-7(2)14/h1H,(H2,12,13,14,15)

InChIKey

SUTDQASCAHAOKO-UHFFFAOYSA-N

Compound name

7-bromo-6,8-difluoro-1H-quinazoline-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 275.9346 Da
Monoisotopic Mass: 1.3
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]+	276.94188	144.6
[M+Na]+	298.92382	160.5
[M-H]-	274.92732	145.6
[M+NH4]+	293.96842	162.4
[M+K]+	314.89776	146.5
[M+H-H2O]+	258.93186	143.0
[M+HCOO]-	320.93280	160.1
[M+CH3COO]-	334.94845	190.1
[M+Na-2H]-	296.90927	151.6
[M]+	275.93405	160.3
[M]-	275.93515	160.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe