CID 2773384

2-bromo-4-fluoro-6-nitrophenol

Structural Information

Molecular Formula
C6H3BrFNO3
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])O)Br)F
InChI
InChI=1S/C6H3BrFNO3/c7-4-1-3(8)2-5(6(4)10)9(11)12/h1-2,10H
InChIKey
DFHGOCSWFGXYSQ-UHFFFAOYSA-N
Compound name
2-bromo-4-fluoro-6-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

234.92802 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.93530 137.5
[M+Na]+ 257.91724 150.0
[M-H]- 233.92074 142.1
[M+NH4]+ 252.96184 157.9
[M+K]+ 273.89118 135.2
[M+H-H2O]+ 217.92528 141.2
[M+HCOO]- 279.92622 159.2
[M+CH3COO]- 293.94187 179.7
[M+Na-2H]- 255.90269 145.6
[M]+ 234.92747 154.0
[M]- 234.92857 154.0
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