CID 136037935

Schembl13204641

Structural Information

Molecular Formula
C18H10Cl2N2O2
SMILES
C1=CC(=CC(=C1)Cl)C2=C3C(=C(N2)O)C(=NC3=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H10Cl2N2O2/c19-11-6-4-9(5-7-11)15-13-14(18(24)21-15)16(22-17(13)23)10-2-1-3-12(20)8-10/h1-8,22-23H
InChIKey
KKBTXLFLBFSMLX-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-4-(4-chlorophenyl)-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

356.01193 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.01921 181.1
[M+Na]+ 379.00115 194.0
[M-H]- 355.00465 187.7
[M+NH4]+ 374.04575 196.3
[M+K]+ 394.97509 184.8
[M+H-H2O]+ 339.00919 173.8
[M+HCOO]- 401.01013 191.8
[M+CH3COO]- 415.02578 192.2
[M+Na-2H]- 376.98660 179.9
[M]+ 356.01138 184.8
[M]- 356.01248 184.8
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.