CID 105532

Benzene, 1-(2-methoxyethoxy)-2,4-dinitro-

Structural Information

Molecular Formula
C9H10N2O6
SMILES
COCCOC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O6/c1-16-4-5-17-9-3-2-7(10(12)13)6-8(9)11(14)15/h2-3,6H,4-5H2,1H3
InChIKey
ZDBFHNSBSQNPMA-UHFFFAOYSA-N
Compound name
1-(2-methoxyethoxy)-2,4-dinitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

242.05388 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06116 151.5
[M+Na]+ 265.04310 157.5
[M-H]- 241.04660 155.2
[M+NH4]+ 260.08770 166.7
[M+K]+ 281.01704 149.0
[M+H-H2O]+ 225.05114 153.7
[M+HCOO]- 287.05208 177.6
[M+CH3COO]- 301.06773 181.8
[M+Na-2H]- 263.02855 160.1
[M]+ 242.05333 152.0
[M]- 242.05443 152.0
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