CID 7429

2,6-dibromo-4-nitrophenol

Structural Information

Molecular Formula
C6H3Br2NO3
SMILES
C1=C(C=C(C(=C1Br)O)Br)[N+](=O)[O-]
InChI
InChI=1S/C6H3Br2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H
InChIKey
WBHYZUAQCSHXCT-UHFFFAOYSA-N
Compound name
2,6-dibromo-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

215
Patents

294.84796 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.85524 142.7
[M+Na]+ 317.83718 153.7
[M-H]- 293.84068 148.8
[M+NH4]+ 312.88178 160.8
[M+K]+ 333.81112 135.1
[M+H-H2O]+ 277.84522 153.3
[M+HCOO]- 339.84616 159.5
[M+CH3COO]- 353.86181 196.1
[M+Na-2H]- 315.82263 150.2
[M]+ 294.84741 176.2
[M]- 294.84851 176.2
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