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 156.2
[M+Na]+ 265.04310 162.7
[M+NH4]+ 260.08770 165.0
[M+K]+ 281.01704 172.0
[M-H]- 241.04660 151.8
[M+Na-2H]- 263.02855 155.2
[M]+ 242.05333 158.0
[M]- 242.05443 158.0
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