CID 12363878

1-(2-bromoethyl)-2-nitrobenzene

Structural Information

Molecular Formula
C8H8BrNO2
SMILES
C1=CC=C(C(=C1)CCBr)[N+](=O)[O-]
InChI
InChI=1S/C8H8BrNO2/c9-6-5-7-3-1-2-4-8(7)10(11)12/h1-4H,5-6H2
InChIKey
SJLIPOVZERLCNL-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

232
Patents

228.97385 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.98113 142.4
[M+Na]+ 251.96307 146.6
[M+NH4]+ 247.00767 147.6
[M+K]+ 267.93701 148.1
[M-H]- 227.96657 144.4
[M+Na-2H]- 249.94852 146.2
[M]+ 228.97330 142.3
[M]- 228.97440 142.3
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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