CID 70009

2,4-dibromo-6-nitroaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

221
Patents

293.86395 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.87123 144.5
[M+Na]+ 316.85317 155.1
[M-H]- 292.85667 151.1
[M+NH4]+ 311.89777 162.6
[M+K]+ 332.82711 135.9
[M+H-H2O]+ 276.86121 154.0
[M+HCOO]- 338.86215 162.4
[M+CH3COO]- 352.87780 199.6
[M+Na-2H]- 314.83862 151.5
[M]+ 293.86340 176.8
[M]- 293.86450 176.8
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