CID 2724427

Ethyl n-(2,4-dinitrophenoxy)ethanimidate

Structural Information

Molecular Formula
C10H11N3O6
SMILES
CCOC(=NOC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C
InChI
InChI=1S/C10H11N3O6/c1-3-18-7(2)11-19-10-5-4-8(12(14)15)6-9(10)13(16)17/h4-6H,3H2,1-2H3
InChIKey
UVBZLMGBNXCYNA-UHFFFAOYSA-N
Compound name
ethyl N-(2,4-dinitrophenoxy)ethanimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

269.0648 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07208 157.4
[M+Na]+ 292.05402 162.6
[M-H]- 268.05752 162.3
[M+NH4]+ 287.09862 171.8
[M+K]+ 308.02796 154.6
[M+H-H2O]+ 252.06206 158.9
[M+HCOO]- 314.06300 184.7
[M+CH3COO]- 328.07865 190.2
[M+Na-2H]- 290.03947 165.4
[M]+ 269.06425 157.7
[M]- 269.06535 157.7
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

patents stripe