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]+ 274.07100 157.6
[M+Na]+ 296.05294 172.0
[M+NH4]+ 291.09754 164.8
[M+K]+ 312.02688 168.5
[M-H]- 272.05644 162.2
[M+Na-2H]- 294.03839 165.8
[M]+ 273.06317 160.8
[M]- 273.06427 160.8
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.