CID 4669250

5-nitroisatin

Structural Information

Molecular Formula
C8H4N2O4
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=O)N2
InChI
InChI=1S/C8H4N2O4/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(7)12/h1-3H,(H,9,11,12)
InChIKey
UNMYHYODJHKLOC-UHFFFAOYSA-N
Compound name
5-nitro-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

1085
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.