CID 43511759

6,7-dichloro-2,3-dihydro-1-benzofuran-3-one

Structural Information

Molecular Formula

C₈H₄Cl₂O₂

SMILES

C1C(=O)C2=C(O1)C(=C(C=C2)Cl)Cl

InChI

InChI=1S/C8H4Cl2O2/c9-5-2-1-4-6(11)3-12-8(4)7(5)10/h1-2H,3H2

InChIKey

PPVCDEHKMVBMGA-UHFFFAOYSA-N

Compound name

6,7-dichloro-1-benzofuran-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 201.95883 Da
Monoisotopic Mass: 2.7
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]+	202.96611	133.1
[M+Na]+	224.94805	148.2
[M+NH4]+	219.99265	143.2
[M+K]+	240.92199	142.7
[M-H]-	200.95155	136.6
[M+Na-2H]-	222.93350	138.9
[M]+	201.95828	136.9
[M]-	201.95938	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe