CID 4363772

Ethyl n-(2,4-dinitrophenoxy)carbamate

Structural Information

Molecular Formula
C9H9N3O7
SMILES
CCOC(=O)NOC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C9H9N3O7/c1-2-18-9(13)10-19-8-4-3-6(11(14)15)5-7(8)12(16)17/h3-5H,2H2,1H3,(H,10,13)
InChIKey
IFJVFZXMHAKZIG-UHFFFAOYSA-N
Compound name
ethyl N-(2,4-dinitrophenoxy)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.04404 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05132 154.2
[M+Na]+ 294.03326 159.0
[M-H]- 270.03676 157.8
[M+NH4]+ 289.07786 182.5
[M+K]+ 310.00720 150.9
[M+H-H2O]+ 254.04130 155.8
[M+HCOO]- 316.04224 180.5
[M+CH3COO]- 330.05789 186.5
[M+Na-2H]- 292.01871 162.6
[M]+ 271.04349 153.5
[M]- 271.04459 153.5
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.