CID 3018254

3-methoxy-2-nitrodibenzofuran

Structural Information

Molecular Formula
C13H9NO4
SMILES
COC1=C(C=C2C3=CC=CC=C3OC2=C1)[N+](=O)[O-]
InChI
InChI=1S/C13H9NO4/c1-17-13-7-12-9(6-10(13)14(15)16)8-4-2-3-5-11(8)18-12/h2-7H,1H3
InChIKey
OUSHYUBESLWFNA-UHFFFAOYSA-N
Compound name
3-methoxy-2-nitrodibenzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.05316 Da
Monoisotopic Mass

3.5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.