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]+ 272.051316 154.2
[M+Na]+ 294.033258 159.0
[M-H]- 270.036764 157.8
[M+NH4]+ 289.077863 182.5
[M+K]+ 310.007198 150.9
[M+H-H2O]+ 254.041300 155.8
[M+HCOO]- 316.042241 180.5
[M+CH3COO]- 330.057891 186.5
[M+Na-2H]- 292.018706 162.6
[M]+ 271.04349142 153.5
[M]- 271.04458858 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.