CID 21356

5285-41-6

Structural Information

Molecular Formula

C₇H₃Cl₂NO₂

SMILES

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

InChI

InChI=1S/C7H3Cl2NO2/c8-3-1-5-6(2-4(3)9)12-7(11)10-5/h1-2H,(H,10,11)

InChIKey

WLWRBOFZMOBYJR-UHFFFAOYSA-N

Compound name

5,6-dichloro-3H-1,3-benzoxazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 50
Patents: 202.95409 Da
Monoisotopic Mass: 2.4
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]+	203.96137	132.4
[M+Na]+	225.94331	148.8
[M+NH4]+	220.98791	141.6
[M+K]+	241.91725	143.4
[M-H]-	201.94681	135.0
[M+Na-2H]-	223.92876	139.0
[M]+	202.95354	136.1
[M]-	202.95464	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe