CID 53404876

4-bromo-3-fluoro-2-nitrophenol

Structural Information

Molecular Formula
C6H3BrFNO3
SMILES
C1=CC(=C(C(=C1O)[N+](=O)[O-])F)Br
InChI
InChI=1S/C6H3BrFNO3/c7-3-1-2-4(10)6(5(3)8)9(11)12/h1-2,10H
InChIKey
VQSACDGRYKNYRN-UHFFFAOYSA-N
Compound name
4-bromo-3-fluoro-2-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

234.92802 Da
Monoisotopic Mass

2.7
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

No literature data available for this compound.

Patent stripe

patents stripe