CID 54702981

77529-44-3

Structural Information

Molecular Formula
C16H11NO4
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)OC3=C(C(=O)NC3=O)O
InChI
InChI=1S/C16H11NO4/c18-13-14(16(20)17-15(13)19)21-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,17,18,19,20)
InChIKey
QBPIOKMFCOJDKR-UHFFFAOYSA-N
Compound name
3-hydroxy-4-(4-phenylphenoxy)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

281.06882 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.07610 163.6
[M+Na]+ 304.05804 177.5
[M+NH4]+ 299.10264 170.4
[M+K]+ 320.03198 173.0
[M-H]- 280.06154 167.3
[M+Na-2H]- 302.04349 171.5
[M]+ 281.06827 166.5
[M]- 281.06937 166.5
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