CID 79517

Ethyl 4-nitrophenylacetate

Structural Information

Molecular Formula
C10H11NO4
SMILES
CCOC(=O)CC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H11NO4/c1-2-15-10(12)7-8-3-5-9(6-4-8)11(13)14/h3-6H,2,7H2,1H3
InChIKey
DWDRNKYLWMKWTH-UHFFFAOYSA-N
Compound name
ethyl 2-(4-nitrophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

670
Patents

209.0688 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 143.6
[M+Na]+ 232.05802 150.4
[M-H]- 208.06152 147.4
[M+NH4]+ 227.10262 161.6
[M+K]+ 248.03196 145.4
[M+H-H2O]+ 192.06606 142.1
[M+HCOO]- 254.06700 168.7
[M+CH3COO]- 268.08265 179.9
[M+Na-2H]- 230.04347 150.3
[M]+ 209.06825 144.6
[M]- 209.06935 144.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe