CID 13231

2,6-dibromo-4-nitroaniline

Structural Information

Molecular Formula
C6H4Br2N2O2
SMILES
C1=C(C=C(C(=C1Br)N)Br)[N+](=O)[O-]
InChI
InChI=1S/C6H4Br2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2
InChIKey
YMZIFDLWYUSZCC-UHFFFAOYSA-N
Compound name
2,6-dibromo-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

3723
Patents

293.86395 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.87123 155.9
[M+Na]+ 316.85317 150.9
[M+NH4]+ 311.89777 157.7
[M+K]+ 332.82711 158.7
[M-H]- 292.85667 157.5
[M+Na-2H]- 314.83862 156.5
[M]+ 293.86340 154.5
[M]- 293.86450 154.5
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