CID 61373055

4-bromo-1-(2-methoxyethoxy)-2-nitrobenzene

Structural Information

Molecular Formula
C9H10BrNO4
SMILES
COCCOC1=C(C=C(C=C1)Br)[N+](=O)[O-]
InChI
InChI=1S/C9H10BrNO4/c1-14-4-5-15-9-3-2-7(10)6-8(9)11(12)13/h2-3,6H,4-5H2,1H3
InChIKey
JDMAYXLFPMODFC-UHFFFAOYSA-N
Compound name
4-bromo-1-(2-methoxyethoxy)-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

274.9793 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.986576 151.4
[M+Na]+ 297.968518 162.1
[M-H]- 273.972024 157.8
[M+NH4]+ 293.013123 170.6
[M+K]+ 313.942458 148.5
[M+H-H2O]+ 257.976560 154.8
[M+HCOO]- 319.977501 174.7
[M+CH3COO]- 333.993151 189.2
[M+Na-2H]- 295.953966 159.7
[M]+ 274.97875142 172.7
[M]- 274.97984858 172.7
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