CID 11779

3-nitrophthalimide

Structural Information

Molecular Formula
C8H4N2O4
SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)NC2=O
InChI
InChI=1S/C8H4N2O4/c11-7-4-2-1-3-5(10(13)14)6(4)8(12)9-7/h1-3H,(H,9,11,12)
InChIKey
BONIIQYTWOPUQI-UHFFFAOYSA-N
Compound name
4-nitroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1806
Patents

192.0171 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02438 134.1
[M+Na]+ 215.00632 143.3
[M-H]- 191.00982 136.9
[M+NH4]+ 210.05092 153.7
[M+K]+ 230.98026 136.4
[M+H-H2O]+ 175.01436 133.2
[M+HCOO]- 237.01530 157.2
[M+CH3COO]- 251.03095 172.8
[M+Na-2H]- 212.99177 141.8
[M]+ 192.01655 131.7
[M]- 192.01765 131.7
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