CID 22150136

4-chlorobenzofuran-3(2h)-one

Structural Information

Molecular Formula
C8H5ClO2
SMILES
C1C(=O)C2=C(O1)C=CC=C2Cl
InChI
InChI=1S/C8H5ClO2/c9-5-2-1-3-7-8(5)6(10)4-11-7/h1-3H,4H2
InChIKey
HHLDAXYTRQJRAK-UHFFFAOYSA-N
Compound name
4-chloro-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

167.9978 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.00508 127.3
[M+Na]+ 190.98702 141.7
[M+NH4]+ 186.03162 137.5
[M+K]+ 206.96096 136.7
[M-H]- 166.99052 131.1
[M+Na-2H]- 188.97247 133.4
[M]+ 167.99725 130.8
[M]- 167.99835 130.8
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