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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.96611 136.3
[M+Na]+ 224.94805 148.7
[M-H]- 200.95155 141.5
[M+NH4]+ 219.99265 158.8
[M+K]+ 240.92199 144.5
[M+H-H2O]+ 184.95609 133.3
[M+HCOO]- 246.95703 150.2
[M+CH3COO]- 260.97268 151.1
[M+Na-2H]- 222.93350 142.1
[M]+ 201.95828 140.7
[M]- 201.95938 140.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe