CID 12623774

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

Structural Information

Molecular Formula
C7H5BrClNO2
SMILES
C1=CC(=C(C=C1CBr)[N+](=O)[O-])Cl
InChI
InChI=1S/C7H5BrClNO2/c8-4-5-1-2-6(9)7(3-5)10(11)12/h1-3H,4H2
InChIKey
WGDMVIZMGANIGL-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1-chloro-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
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

No literature data available for this compound.

Patent stripe

patents stripe