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 160.8
[M+Na]+ 304.05804 169.7
[M-H]- 280.06154 167.7
[M+NH4]+ 299.10264 175.5
[M+K]+ 320.03198 164.5
[M+H-H2O]+ 264.06608 152.9
[M+HCOO]- 326.06702 182.1
[M+CH3COO]- 340.08267 193.4
[M+Na-2H]- 302.04349 163.0
[M]+ 281.06827 160.1
[M]- 281.06937 160.1
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

patents stripe