CID 54688526

3-acetyl-1-(3,4-dichlorophenyl)-4-hydroxy-pyrrole-2,5-dione

Structural Information

Molecular Formula
C12H7Cl2NO4
SMILES
CC(=O)C1=C(C(=O)N(C1=O)C2=CC(=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C12H7Cl2NO4/c1-5(16)9-10(17)12(19)15(11(9)18)6-2-3-7(13)8(14)4-6/h2-4,17H,1H3
InChIKey
KWGGEBAHHLSTTA-UHFFFAOYSA-N
Compound name
3-acetyl-1-(3,4-dichlorophenyl)-4-hydroxypyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.97522 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.98250 157.8
[M+Na]+ 321.96444 170.4
[M-H]- 297.96794 162.9
[M+NH4]+ 317.00904 174.9
[M+K]+ 337.93838 164.5
[M+H-H2O]+ 281.97248 153.2
[M+HCOO]- 343.97342 170.1
[M+CH3COO]- 357.98907 198.6
[M+Na-2H]- 319.94989 156.8
[M]+ 298.97467 162.7
[M]- 298.97577 162.7
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

No patent data available for this compound.