CID 135501490

84632-54-2

Structural Information

Molecular Formula
C18H10Br2N2O2
SMILES
C1=CC(=CC=C1C2=C3C(=C(N2)O)C(=NC3=O)C4=CC=C(C=C4)Br)Br
InChI
InChI=1S/C18H10Br2N2O2/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
CAWRULFLTGFYSP-UHFFFAOYSA-N
Compound name
1,4-bis(4-bromophenyl)-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

443.9109 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.91818 179.4
[M+Na]+ 466.90012 191.2
[M-H]- 442.90362 189.0
[M+NH4]+ 461.94472 194.6
[M+K]+ 482.87406 175.7
[M+H-H2O]+ 426.90816 187.4
[M+HCOO]- 488.90910 193.1
[M+CH3COO]- 502.92475 191.5
[M+Na-2H]- 464.88557 180.9
[M]+ 443.91035 213.3
[M]- 443.91145 213.3
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