CID 50354

2-nitronaphtho(2,1-b)furan

Structural Information

Molecular Formula
C12H7NO3
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C12H7NO3/c14-13(15)12-7-10-9-4-2-1-3-8(9)5-6-11(10)16-12/h1-7H
InChIKey
HXRMBVOCHDEAQH-UHFFFAOYSA-N
Compound name
2-nitrobenzo[e][1]benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

11
Patents

213.04259 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.04987 140.0
[M+Na]+ 236.03181 149.9
[M-H]- 212.03531 147.2
[M+NH4]+ 231.07641 160.6
[M+K]+ 252.00575 143.7
[M+H-H2O]+ 196.03985 138.9
[M+HCOO]- 258.04079 165.8
[M+CH3COO]- 272.05644 181.2
[M+Na-2H]- 234.01726 151.8
[M]+ 213.04204 142.4
[M]- 213.04314 142.4
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

No patent data available for this compound.