CID 33791

Fthalide

Structural Information

Molecular Formula
C8H2Cl4O2
SMILES
C1C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C(=O)O1
InChI
InChI=1S/C8H2Cl4O2/c9-4-2-1-14-8(13)3(2)5(10)7(12)6(4)11/h1H2
InChIKey
NMWKWBPNKPGATC-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrachloro-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

11155
Patents

269.8809 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.88818 152.3
[M+Na]+ 292.87012 165.2
[M-H]- 268.87362 154.8
[M+NH4]+ 287.91472 171.6
[M+K]+ 308.84406 160.1
[M+H-H2O]+ 252.87816 150.5
[M+HCOO]- 314.87910 154.7
[M+CH3COO]- 328.89475 164.4
[M+Na-2H]- 290.85557 153.8
[M]+ 269.88035 156.1
[M]- 269.88145 156.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe