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]+ 275.98658 151.4
[M+Na]+ 297.96852 162.1
[M-H]- 273.97202 157.8
[M+NH4]+ 293.01312 170.6
[M+K]+ 313.94246 148.5
[M+H-H2O]+ 257.97656 154.8
[M+HCOO]- 319.97750 174.7
[M+CH3COO]- 333.99315 189.2
[M+Na-2H]- 295.95397 159.7
[M]+ 274.97875 172.7
[M]- 274.97985 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.