CID 209110

19225-30-0

Structural Information

Molecular Formula
C16H9ClO4
SMILES
C1OC2=C(O1)C=C3C(=C2)C(=O)C(C3=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C16H9ClO4/c17-9-3-1-8(2-4-9)14-15(18)10-5-12-13(21-7-20-12)6-11(10)16(14)19/h1-6,14H,7H2
InChIKey
NLMMOSXJODJUCD-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)cyclopenta[f][1,3]benzodioxole-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.01895 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.02623 165.1
[M+Na]+ 323.00817 177.2
[M-H]- 299.01167 176.0
[M+NH4]+ 318.05277 184.5
[M+K]+ 338.98211 173.7
[M+H-H2O]+ 283.01621 161.0
[M+HCOO]- 345.01715 181.6
[M+CH3COO]- 359.03280 179.1
[M+Na-2H]- 320.99362 167.8
[M]+ 300.01840 170.9
[M]- 300.01950 170.9
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

No patent data available for this compound.