CID 2737056

4-nitro-1h-indene-1,3(2h)-dione

Structural Information

Molecular Formula
C9H5NO4
SMILES
C1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H5NO4/c11-7-4-8(12)9-5(7)2-1-3-6(9)10(13)14/h1-3H,4H2
InChIKey
GIJFSQFSAXUVLD-UHFFFAOYSA-N
Compound name
4-nitroindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

36
Patents

191.02185 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.02913 134.7
[M+Na]+ 214.01107 144.0
[M-H]- 190.01457 140.1
[M+NH4]+ 209.05567 156.4
[M+K]+ 229.98501 137.8
[M+H-H2O]+ 174.01911 134.4
[M+HCOO]- 236.02005 160.3
[M+CH3COO]- 250.03570 175.9
[M+Na-2H]- 211.99652 142.1
[M]+ 191.02130 134.1
[M]- 191.02240 134.1
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