CID 34667

1-bromo-2-chloro-4-nitrobenzene

Structural Information

Molecular Formula
C6H3BrClNO2
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Cl)Br
InChI
InChI=1S/C6H3BrClNO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H
InChIKey
YKSXEJZFIQAUHJ-UHFFFAOYSA-N
Compound name
1-bromo-2-chloro-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

234.90356 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.91084 138.9
[M+Na]+ 257.89278 144.6
[M+NH4]+ 252.93738 144.7
[M+K]+ 273.86672 145.9
[M-H]- 233.89628 141.1
[M+Na-2H]- 255.87823 143.2
[M]+ 234.90301 139.5
[M]- 234.90411 139.5
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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