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 158.5
[M+Na]+ 296.05294 165.0
[M-H]- 272.05644 165.6
[M+NH4]+ 291.09754 173.4
[M+K]+ 312.02688 159.2
[M+H-H2O]+ 256.06098 155.1
[M+HCOO]- 318.06192 183.7
[M+CH3COO]- 332.07757 191.1
[M+Na-2H]- 294.03839 165.1
[M]+ 273.06317 159.9
[M]- 273.06427 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.