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

74
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

literature stripe

Patent stripe

patents stripe