CID 1502066

5-nitro-2-indanone

Structural Information

Molecular Formula
C9H7NO3
SMILES
C1C(=O)CC2=C1C=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H7NO3/c11-9-4-6-1-2-8(10(12)13)3-7(6)5-9/h1-3H,4-5H2
InChIKey
VSEBFWRYDORZJI-UHFFFAOYSA-N
Compound name
5-nitro-1,3-dihydroinden-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

177.04259 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04987 132.9
[M+Na]+ 200.03181 145.7
[M+NH4]+ 195.07641 142.1
[M+K]+ 216.00575 144.0
[M-H]- 176.03531 136.2
[M+Na-2H]- 198.01726 138.2
[M]+ 177.04204 135.4
[M]- 177.04314 135.4
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