CID 76070

2-(2,4-dinitrophenoxy)ethanol

Structural Information

Molecular Formula
C8H8N2O6
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OCCO
InChI
InChI=1S/C8H8N2O6/c11-3-4-16-8-2-1-6(9(12)13)5-7(8)10(14)15/h1-2,5,11H,3-4H2
InChIKey
YYTMNJWMYPSLOD-UHFFFAOYSA-N
Compound name
2-(2,4-dinitrophenoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

69
Patents

228.03824 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.04552 145.8
[M+Na]+ 251.02746 151.8
[M-H]- 227.03096 148.4
[M+NH4]+ 246.07206 160.9
[M+K]+ 267.00140 142.6
[M+H-H2O]+ 211.03550 148.4
[M+HCOO]- 273.03644 170.8
[M+CH3COO]- 287.05209 175.9
[M+Na-2H]- 249.01291 154.6
[M]+ 228.03769 144.2
[M]- 228.03879 144.2
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.