CID 46405

64037-31-6

Structural Information

Molecular Formula

C₇H₂Cl₃NO₂

SMILES

C1=C(C2=C(C(=C1Cl)Cl)NC(=O)O2)Cl

InChI

InChI=1S/C7H2Cl3NO2/c8-2-1-3(9)6-5(4(2)10)11-7(12)13-6/h1H,(H,11,12)

InChIKey

DEUSSOTUEGORRC-UHFFFAOYSA-N

Compound name

4,5,7-trichloro-3H-1,3-benzoxazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 236.91512 Da
Monoisotopic Mass: 3.0
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]+	237.92240	140.1
[M+Na]+	259.90434	156.7
[M+NH4]+	254.94894	149.0
[M+K]+	275.87828	150.9
[M-H]-	235.90784	142.3
[M+Na-2H]-	257.88979	146.1
[M]+	236.91457	144.0
[M]-	236.91567	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe