CID 174375

84632-65-5

Structural Information

Molecular Formula
C18H10Cl2N2O2
SMILES
C1=CC(=CC=C1C2=C3C(=C(N2)O)C(=NC3=O)C4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C18H10Cl2N2O2/c19-11-5-1-9(2-6-11)15-13-14(18(24)21-15)16(22-17(13)23)10-3-7-12(20)8-4-10/h1-8,21,24H
InChIKey
IWCLHLSTAOEFCW-UHFFFAOYSA-N
Compound name
1,4-bis(4-chlorophenyl)-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

699
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

literature stripe

Patent stripe

patents stripe