CID 360334

3,4-dichloro-1-(2-chlorophenyl)-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C10H4Cl3NO2
SMILES
C1=CC=C(C(=C1)N2C(=O)C(=C(C2=O)Cl)Cl)Cl
InChI
InChI=1S/C10H4Cl3NO2/c11-5-3-1-2-4-6(5)14-9(15)7(12)8(13)10(14)16/h1-4H
InChIKey
HMABFSHJGPPYEN-UHFFFAOYSA-N
Compound name
3,4-dichloro-1-(2-chlorophenyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

274.93076 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.93804 153.5
[M+Na]+ 297.91998 166.5
[M-H]- 273.92348 158.0
[M+NH4]+ 292.96458 171.9
[M+K]+ 313.89392 159.9
[M+H-H2O]+ 257.92802 148.6
[M+HCOO]- 319.92896 162.4
[M+CH3COO]- 333.94461 194.8
[M+Na-2H]- 295.90543 154.1
[M]+ 274.93021 157.2
[M]- 274.93131 157.2
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