CID 240674

6329-95-9

Structural Information

Molecular Formula
C17H15NO6
SMILES
CCOC(=O)C(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H15NO6/c1-2-23-17(20)15(13-9-6-10-14(11-13)18(21)22)24-16(19)12-7-4-3-5-8-12/h3-11,15H,2H2,1H3
InChIKey
ZZNZQUPMZTXGNV-UHFFFAOYSA-N
Compound name
[2-ethoxy-1-(3-nitrophenyl)-2-oxoethyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.08994 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.09722 171.7
[M+Na]+ 352.07916 183.9
[M+NH4]+ 347.12376 177.3
[M+K]+ 368.05310 181.7
[M-H]- 328.08266 175.0
[M+Na-2H]- 350.06461 178.2
[M]+ 329.08939 174.0
[M]- 329.09049 174.0
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.