CID 81734

1-(4-hydroxyphenyl)-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C10H7NO3
SMILES
C1=CC(=CC=C1N2C(=O)C=CC2=O)O
InChI
InChI=1S/C10H7NO3/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-6,12H
InChIKey
BLLFPKZTBLMEFG-UHFFFAOYSA-N
Compound name
1-(4-hydroxyphenyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

5226
Patents

189.04259 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.049866 135.8
[M+Na]+ 212.031808 145.9
[M-H]- 188.035314 140.9
[M+NH4]+ 207.076413 155.5
[M+K]+ 228.005748 142.8
[M+H-H2O]+ 172.039850 129.5
[M+HCOO]- 234.040791 159.2
[M+CH3COO]- 248.056441 178.2
[M+Na-2H]- 210.017256 140.1
[M]+ 189.04204142 135.6
[M]- 189.04313858 135.6
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