CID 3628388

131770-84-8

Structural Information

Molecular Formula
C14H13NO4
SMILES
COC1=CC=C(C=C1)COC2=CC=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H13NO4/c1-18-13-7-5-11(6-8-13)10-19-14-4-2-3-12(9-14)15(16)17/h2-9H,10H2,1H3
InChIKey
DKJCBEQXXUXLBQ-UHFFFAOYSA-N
Compound name
1-[(4-methoxyphenyl)methoxy]-3-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

259.08447 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.091746 156.8
[M+Na]+ 282.073688 163.4
[M-H]- 258.077194 163.7
[M+NH4]+ 277.118293 172.5
[M+K]+ 298.047628 157.0
[M+H-H2O]+ 242.081730 153.4
[M+HCOO]- 304.082671 182.6
[M+CH3COO]- 318.098321 189.9
[M+Na-2H]- 280.059136 164.3
[M]+ 259.08392142 158.2
[M]- 259.08501858 158.2
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

patents stripe