CID 16227526

3,4-dichloro-1-[(3-chlorophenyl)methyl]-2,5-dihydro-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C11H6Cl3NO2
SMILES
C1=CC(=CC(=C1)Cl)CN2C(=O)C(=C(C2=O)Cl)Cl
InChI
InChI=1S/C11H6Cl3NO2/c12-7-3-1-2-6(4-7)5-15-10(16)8(13)9(14)11(15)17/h1-4H,5H2
InChIKey
COKVSADPWHRIJA-UHFFFAOYSA-N
Compound name
3,4-dichloro-1-[(3-chlorophenyl)methyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.9464 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.95368 158.1
[M+Na]+ 311.93562 170.7
[M-H]- 287.93912 162.4
[M+NH4]+ 306.98022 175.9
[M+K]+ 327.90956 163.8
[M+H-H2O]+ 271.94366 153.0
[M+HCOO]- 333.94460 166.6
[M+CH3COO]- 347.96025 197.6
[M+Na-2H]- 309.92107 158.1
[M]+ 288.94585 162.1
[M]- 288.94695 162.1
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.