CID 269626

1-(2-bromoethoxy)-3-nitrobenzene

Structural Information

Molecular Formula
C8H8BrNO3
SMILES
C1=CC(=CC(=C1)OCCBr)[N+](=O)[O-]
InChI
InChI=1S/C8H8BrNO3/c9-4-5-13-8-3-1-2-7(6-8)10(11)12/h1-3,6H,4-5H2
InChIKey
QBUSKXLDUNPEMZ-UHFFFAOYSA-N
Compound name
1-(2-bromoethoxy)-3-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

244.96877 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.97605 145.7
[M+Na]+ 267.95799 149.5
[M+NH4]+ 263.00259 150.4
[M+K]+ 283.93193 151.4
[M-H]- 243.96149 147.3
[M+Na-2H]- 265.94344 149.1
[M]+ 244.96822 145.4
[M]- 244.96932 145.4
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