CID 15063170

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

292.8687 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.875976 144.8
[M+Na]+ 315.857918 155.6
[M-H]- 291.861424 151.8
[M+NH4]+ 310.902523 163.6
[M+K]+ 331.831858 137.3
[M+H-H2O]+ 275.865960 155.6
[M+HCOO]- 337.866901 162.6
[M+CH3COO]- 351.882551 198.2
[M+Na-2H]- 313.843366 152.8
[M]+ 292.86815142 178.9
[M]- 292.86924858 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

No literature data available for this compound.

Patent stripe

patents stripe