CID 780584

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

Structural Information

Molecular Formula
C11H8N2O5
SMILES
COC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)C=CC2=O
InChI
InChI=1S/C11H8N2O5/c1-18-9-3-2-7(13(16)17)6-8(9)12-10(14)4-5-11(12)15/h2-6H,1H3
InChIKey
RQSBMFYAHQPZGS-UHFFFAOYSA-N
Compound name
1-(2-methoxy-5-nitrophenyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.04332 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.05060 149.7
[M+Na]+ 271.03254 158.6
[M-H]- 247.03604 156.3
[M+NH4]+ 266.07714 166.6
[M+K]+ 287.00648 152.5
[M+H-H2O]+ 231.04058 147.2
[M+HCOO]- 293.04152 175.1
[M+CH3COO]- 307.05717 186.2
[M+Na-2H]- 269.01799 155.1
[M]+ 248.04277 150.5
[M]- 248.04387 150.5
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

No patent data available for this compound.