CID 458417

2-nitrosoisoindoline-1,3-dione

Structural Information

Molecular Formula
C8H4N2O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)N=O
InChI
InChI=1S/C8H4N2O3/c11-7-5-3-1-2-4-6(5)8(12)10(7)9-13/h1-4H
InChIKey
QYBUCATUCRELKA-UHFFFAOYSA-N
Compound name
2-nitrosoisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

176.02219 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02947 129.1
[M+Na]+ 199.01141 140.3
[M-H]- 175.01491 134.8
[M+NH4]+ 194.05601 151.6
[M+K]+ 214.98535 138.7
[M+H-H2O]+ 159.01945 123.1
[M+HCOO]- 221.02039 155.8
[M+CH3COO]- 235.03604 183.1
[M+Na-2H]- 196.99686 136.7
[M]+ 176.02164 131.9
[M]- 176.02274 131.9
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