CID 240674

Ethyl 2-(3-nitrophenyl)-2-benzoyloxyacetate

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 174.3
[M+Na]+ 352.07916 178.1
[M-H]- 328.08266 180.5
[M+NH4]+ 347.12376 186.2
[M+K]+ 368.05310 172.7
[M+H-H2O]+ 312.08720 170.2
[M+HCOO]- 374.08814 196.8
[M+CH3COO]- 388.10379 200.9
[M+Na-2H]- 350.06461 177.8
[M]+ 329.08939 175.6
[M]- 329.09049 175.6
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.