CID 708370

N-(5-nitro-ortho-tolyl)-maleimide

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 146.9
[M+Na]+ 255.03762 156.0
[M-H]- 231.04112 153.5
[M+NH4]+ 250.08222 164.6
[M+K]+ 271.01156 149.3
[M+H-H2O]+ 215.04566 144.6
[M+HCOO]- 277.04660 172.1
[M+CH3COO]- 291.06225 184.0
[M+Na-2H]- 253.02307 152.0
[M]+ 232.04785 146.3
[M]- 232.04895 146.3
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