CID 708370

1-(2-methyl-5-nitrophenyl)-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C11H8N2O4
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)C=CC2=O
InChI
InChI=1S/C11H8N2O4/c1-7-2-3-8(13(16)17)6-9(7)12-10(14)4-5-11(12)15/h2-6H,1H3
InChIKey
UNJCZKYOAQGDIQ-UHFFFAOYSA-N
Compound name
1-(2-methyl-5-nitrophenyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

232.0484 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05568 147.6
[M+Na]+ 255.03762 161.0
[M+NH4]+ 250.08222 154.6
[M+K]+ 271.01156 160.0
[M-H]- 231.04112 151.0
[M+Na-2H]- 253.02307 153.6
[M]+ 232.04785 150.2
[M]- 232.04895 150.2
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