CID 295464

Etinofen

Structural Information

Molecular Formula
C9H10N2O6
SMILES
CCOCC1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O
InChI
InChI=1S/C9H10N2O6/c1-2-17-5-6-3-7(10(13)14)4-8(9(6)12)11(15)16/h3-4,12H,2,5H2,1H3
InChIKey
DSABESMCWFGGNQ-UHFFFAOYSA-N
Compound name
2-(ethoxymethyl)-4,6-dinitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4580
Patents

242.05388 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06116 150.1
[M+Na]+ 265.04310 156.6
[M-H]- 241.04660 152.9
[M+NH4]+ 260.08770 165.0
[M+K]+ 281.01704 147.2
[M+H-H2O]+ 225.05114 152.9
[M+HCOO]- 287.05208 174.8
[M+CH3COO]- 301.06773 180.0
[M+Na-2H]- 263.02855 157.9
[M]+ 242.05333 149.3
[M]- 242.05443 149.3
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