CID 11458432

N-hydroxy-4-nitrophthalimide

Structural Information

Molecular Formula
C8H4N2O5
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)O
InChI
InChI=1S/C8H4N2O5/c11-7-5-2-1-4(10(14)15)3-6(5)8(12)9(7)13/h1-3,13H
InChIKey
MKACMVMZUIQKNY-UHFFFAOYSA-N
Compound name
2-hydroxy-5-nitroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

223
Patents

208.01202 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.019296 136.4
[M+Na]+ 231.001238 146.3
[M-H]- 207.004744 139.5
[M+NH4]+ 226.045843 155.5
[M+K]+ 246.975178 139.9
[M+H-H2O]+ 191.009280 135.6
[M+HCOO]- 253.010221 159.6
[M+CH3COO]- 267.025871 176.2
[M+Na-2H]- 228.986686 143.8
[M]+ 208.01147142 135.7
[M]- 208.01256858 135.7
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