CID 75176103

Methyl 2-(2-formylphenoxy)-5-nitrobenzoate

Structural Information

Molecular Formula
C15H11NO6
SMILES
COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OC2=CC=CC=C2C=O
InChI
InChI=1S/C15H11NO6/c1-21-15(18)12-8-11(16(19)20)6-7-14(12)22-13-5-3-2-4-10(13)9-17/h2-9H,1H3
InChIKey
LWGJQPWXRWQCQL-UHFFFAOYSA-N
Compound name
methyl 2-(2-formylphenoxy)-5-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.05862 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.06590 163.9
[M+Na]+ 324.04784 178.0
[M+NH4]+ 319.09244 170.2
[M+K]+ 340.02178 175.0
[M-H]- 300.05134 167.9
[M+Na-2H]- 322.03329 171.1
[M]+ 301.05807 166.8
[M]- 301.05917 166.8
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.