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]+ 330.097216 174.3
[M+Na]+ 352.079158 178.1
[M-H]- 328.082664 180.5
[M+NH4]+ 347.123763 186.2
[M+K]+ 368.053098 172.7
[M+H-H2O]+ 312.087200 170.2
[M+HCOO]- 374.088141 196.8
[M+CH3COO]- 388.103791 200.9
[M+Na-2H]- 350.064606 177.8
[M]+ 329.08939142 175.6
[M]- 329.09048858 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.