CID 100603

75965-72-9

Structural Information

Molecular Formula
C13H9NO4
SMILES
COC1=CC2=CC=CC=C2C3=C1OC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C13H9NO4/c1-17-11-6-8-4-2-3-5-9(8)10-7-12(14(15)16)18-13(10)11/h2-7H,1H3
InChIKey
FJXJAAFKONAPKR-UHFFFAOYSA-N
Compound name
4-methoxy-2-nitrobenzo[e][1]benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

434
Patents

243.05316 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.060436 148.3
[M+Na]+ 266.042378 158.4
[M-H]- 242.045884 155.7
[M+NH4]+ 261.086983 167.8
[M+K]+ 282.016318 152.5
[M+H-H2O]+ 226.050420 146.9
[M+HCOO]- 288.051361 173.8
[M+CH3COO]- 302.067011 187.4
[M+Na-2H]- 264.027826 159.0
[M]+ 243.05261142 152.7
[M]- 243.05370858 152.7
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