CID 914119

4-methoxyphenyl 3-nitrobenzoate

Structural Information

Molecular Formula
C14H11NO5
SMILES
COC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H11NO5/c1-19-12-5-7-13(8-6-12)20-14(16)10-3-2-4-11(9-10)15(17)18/h2-9H,1H3
InChIKey
MQWFODNELGHVGU-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl) 3-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.06372 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.070996 158.5
[M+Na]+ 296.052938 165.0
[M-H]- 272.056444 165.6
[M+NH4]+ 291.097543 173.4
[M+K]+ 312.026878 159.2
[M+H-H2O]+ 256.060980 155.1
[M+HCOO]- 318.061921 183.7
[M+CH3COO]- 332.077571 191.1
[M+Na-2H]- 294.038386 165.1
[M]+ 273.06317142 159.9
[M]- 273.06426858 159.9
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.