CID 205844

18845-23-3

Structural Information

Molecular Formula

C₁₀H₈BrCl₂NO₂

SMILES

C1=C2C(=CC(=C1Cl)Br)OC(=O)N2CCCCl

InChI

InChI=1S/C10H8BrCl2NO2/c11-6-4-9-8(5-7(6)13)14(3-1-2-12)10(15)16-9/h4-5H,1-3H2

InChIKey

MAWIJICIKRZZIT-UHFFFAOYSA-N

Compound name

6-bromo-5-chloro-3-(3-chloropropyl)-1,3-benzoxazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 322.91156 Da
Monoisotopic Mass: 3.6
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]+	323.91884	156.3
[M+Na]+	345.90078	173.7
[M-H]-	321.90428	163.3
[M+NH4]+	340.94538	176.9
[M+K]+	361.87472	160.5
[M+H-H2O]+	305.90882	157.6
[M+HCOO]-	367.90976	168.9
[M+CH3COO]-	381.92541	199.6
[M+Na-2H]-	343.88623	163.1
[M]+	322.91101	182.9
[M]-	322.91211	182.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe