CID 12232551

1-(bromomethyl)-3-chloro-2-nitrobenzene

Structural Information

Molecular Formula
C7H5BrClNO2
SMILES
C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])CBr
InChI
InChI=1S/C7H5BrClNO2/c8-4-5-2-1-3-6(9)7(5)10(11)12/h1-3H,4H2
InChIKey
AQAIAXUOYCTOOS-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-chloro-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

248.91922 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.92650 143.6
[M+Na]+ 271.90844 149.0
[M+NH4]+ 266.95304 149.2
[M+K]+ 287.88238 150.1
[M-H]- 247.91194 145.7
[M+Na-2H]- 269.89389 147.5
[M]+ 248.91867 144.1
[M]- 248.91977 144.1
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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