CID 97531

Phthalimide, n-(m-nitrobenzyloxy)-

Structural Information

Molecular Formula
C15H10N2O5
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)OCC3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H10N2O5/c18-14-12-6-1-2-7-13(12)15(19)16(14)22-9-10-4-3-5-11(8-10)17(20)21/h1-8H,9H2
InChIKey
MXLWOFFKIKAHTG-UHFFFAOYSA-N
Compound name
2-[(3-nitrophenyl)methoxy]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

298.05896 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.06624 164.0
[M+Na]+ 321.04818 172.0
[M-H]- 297.05168 171.0
[M+NH4]+ 316.09278 179.4
[M+K]+ 337.02212 164.4
[M+H-H2O]+ 281.05622 160.5
[M+HCOO]- 343.05716 187.6
[M+CH3COO]- 357.07281 196.1
[M+Na-2H]- 319.03363 170.1
[M]+ 298.05841 164.9
[M]- 298.05951 164.9
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