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

6
References

6
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

literature stripe

Patent stripe

patents stripe