CID 2732117

91135-91-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
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

literature stripe

Patent stripe

patents stripe