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

9
Patents

274.9793 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.98658 153.1
[M+Na]+ 297.96852 156.6
[M+NH4]+ 293.01312 157.1
[M+K]+ 313.94246 158.9
[M-H]- 273.97202 154.2
[M+Na-2H]- 295.95397 155.5
[M]+ 274.97875 152.6
[M]- 274.97985 152.6
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

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