CID 10902501

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

Structural Information

Molecular Formula
C7H5Br2NO2
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])CBr)Br
InChI
InChI=1S/C7H5Br2NO2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,4H2
InChIKey
VRBRXANSVKZSAK-UHFFFAOYSA-N
Compound name
1-bromo-2-(bromomethyl)-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

292.8687 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.87598 144.8
[M+Na]+ 315.85792 155.6
[M-H]- 291.86142 151.8
[M+NH4]+ 310.90252 163.6
[M+K]+ 331.83186 137.3
[M+H-H2O]+ 275.86596 155.6
[M+HCOO]- 337.86690 162.6
[M+CH3COO]- 351.88255 198.2
[M+Na-2H]- 313.84337 152.8
[M]+ 292.86815 178.9
[M]- 292.86925 178.9
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