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 164.6
[M+Na]+ 324.04784 171.6
[M-H]- 300.05134 171.8
[M+NH4]+ 319.09244 178.4
[M+K]+ 340.02178 165.7
[M+H-H2O]+ 284.05588 161.0
[M+HCOO]- 346.05682 189.7
[M+CH3COO]- 360.07247 196.5
[M+Na-2H]- 322.03329 170.2
[M]+ 301.05807 167.4
[M]- 301.05917 167.4
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.