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]+ 249.050596 149.7
[M+Na]+ 271.032538 158.6
[M-H]- 247.036044 156.3
[M+NH4]+ 266.077143 166.6
[M+K]+ 287.006478 152.5
[M+H-H2O]+ 231.040580 147.2
[M+HCOO]- 293.041521 175.1
[M+CH3COO]- 307.057171 186.2
[M+Na-2H]- 269.017986 155.1
[M]+ 248.04277142 150.5
[M]- 248.04386858 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.