CID 69276

1-(dibromomethyl)-4-nitrobenzene

Structural Information

Molecular Formula
C7H5Br2NO2
SMILES
C1=CC(=CC=C1C(Br)Br)[N+](=O)[O-]
InChI
InChI=1S/C7H5Br2NO2/c8-7(9)5-1-3-6(4-2-5)10(11)12/h1-4,7H
InChIKey
MKHFRSNFHCJQIQ-UHFFFAOYSA-N
Compound name
1-(dibromomethyl)-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

84
Patents

292.8687 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.87598 146.3
[M+Na]+ 315.85792 156.2
[M-H]- 291.86142 153.1
[M+NH4]+ 310.90252 164.8
[M+K]+ 331.83186 138.2
[M+H-H2O]+ 275.86596 157.0
[M+HCOO]- 337.86690 163.3
[M+CH3COO]- 351.88255 197.9
[M+Na-2H]- 313.84337 153.7
[M]+ 292.86815 179.6
[M]- 292.86925 179.6
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

No patent data available for this compound.