CID 17775064

4-(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)benzaldehyde

Structural Information

Molecular Formula
C11H7NO3
SMILES
C1=CC(=CC=C1C=O)N2C(=O)C=CC2=O
InChI
InChI=1S/C11H7NO3/c13-7-8-1-3-9(4-2-8)12-10(14)5-6-11(12)15/h1-7H
InChIKey
FSOSRAILPRQASZ-UHFFFAOYSA-N
Compound name
4-(2,5-dioxopyrrol-1-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

59
Patents

201.04259 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.049866 138.5
[M+Na]+ 224.031808 148.8
[M-H]- 200.035314 144.8
[M+NH4]+ 219.076413 158.3
[M+K]+ 240.005748 145.8
[M+H-H2O]+ 184.039850 131.8
[M+HCOO]- 246.040791 163.2
[M+CH3COO]- 260.056441 182.9
[M+Na-2H]- 222.017256 142.7
[M]+ 201.04204142 139.8
[M]- 201.04313858 139.8
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