CID 264641

2-bromo-4,6-dinitrophenol

Structural Information

Molecular Formula
C6H3BrN2O5
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])O)Br)[N+](=O)[O-]
InChI
InChI=1S/C6H3BrN2O5/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14/h1-2,10H
InChIKey
LGAQVCNAUXQEJZ-UHFFFAOYSA-N
Compound name
2-bromo-4,6-dinitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

261.92252 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.929796 146.8
[M+Na]+ 284.911738 157.2
[M-H]- 260.915244 152.3
[M+NH4]+ 279.956343 164.4
[M+K]+ 300.885678 139.3
[M+H-H2O]+ 244.919780 154.1
[M+HCOO]- 306.920721 169.5
[M+CH3COO]- 320.936371 179.7
[M+Na-2H]- 282.897186 156.0
[M]+ 261.92197142 162.9
[M]- 261.92306858 162.9
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