CID 6264

2,4-dinitrofluorobenzene

Structural Information

Molecular Formula
C6H3FN2O4
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F
InChI
InChI=1S/C6H3FN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
InChIKey
LOTKRQAVGJMPNV-UHFFFAOYSA-N
Compound name
1-fluoro-2,4-dinitrobenzene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1759
References

12221
Patents

186.00769 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.01497 131.8
[M+Na]+ 208.99691 144.9
[M+NH4]+ 204.04151 139.1
[M+K]+ 224.97085 144.9
[M-H]- 185.00041 134.6
[M+Na-2H]- 206.98236 137.5
[M]+ 186.00714 134.1
[M]- 186.00824 134.1
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