CID 53424

2-nitro-7-methoxynaphtho[2,1-b]furan

Structural Information

Molecular Formula
C13H9NO4
SMILES
COC1=CC2=C(C=C1)C3=C(C=C2)OC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C13H9NO4/c1-17-9-3-4-10-8(6-9)2-5-12-11(10)7-13(18-12)14(15)16/h2-7H,1H3
InChIKey
BRRIJZQYTOFDAF-UHFFFAOYSA-N
Compound name
7-methoxy-2-nitrobenzo[e][1]benzofuran
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

31
References

18
Patents

243.05316 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06044 147.2
[M+Na]+ 266.04238 163.2
[M+NH4]+ 261.08698 156.7
[M+K]+ 282.01632 160.7
[M-H]- 242.04588 153.1
[M+Na-2H]- 264.02783 153.6
[M]+ 243.05261 151.2
[M]- 243.05371 151.2
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