CID 21749

Bromchlorenone

Structural Information

Molecular Formula

C₇H₃BrClNO₂

SMILES

C1=C2C(=CC(=C1Cl)Br)OC(=O)N2

InChI

InChI=1S/C7H3BrClNO2/c8-3-1-6-5(2-4(3)9)10-7(11)12-6/h1-2H,(H,10,11)

InChIKey

KVAWWXSLBDVXHJ-UHFFFAOYSA-N

Compound name

6-bromo-5-chloro-3H-1,3-benzoxazol-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 1137
Patents: 246.90356 Da
Monoisotopic Mass: 2.5
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]+	247.91084	141.3
[M+Na]+	269.89278	147.2
[M+NH4]+	264.93738	146.4
[M+K]+	285.86672	148.2
[M-H]-	245.89628	142.3
[M+Na-2H]-	267.87823	144.2
[M]+	246.90301	141.5
[M]-	246.90411	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe