CID 138660

Dinoseb methyl ether

Structural Information

Molecular Formula
C11H14N2O5
SMILES
CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC
InChI
InChI=1S/C11H14N2O5/c1-4-7(2)9-5-8(12(14)15)6-10(13(16)17)11(9)18-3/h5-7H,4H2,1-3H3
InChIKey
UVYHORVGKZXEMP-UHFFFAOYSA-N
Compound name
1-butan-2-yl-2-methoxy-3,5-dinitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

254.09027 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09755 161.6
[M+Na]+ 277.07949 167.9
[M+NH4]+ 272.12409 170.2
[M+K]+ 293.05343 176.9
[M-H]- 253.08299 157.0
[M+Na-2H]- 275.06494 159.8
[M]+ 254.08972 163.2
[M]- 254.09082 163.2
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

patents stripe