CID 223077

3-bromo-4,6-dinitrofluorobenzene

Structural Information

Molecular Formula
C6H2BrFN2O4
SMILES
C1=C(C(=CC(=C1[N+](=O)[O-])Br)F)[N+](=O)[O-]
InChI
InChI=1S/C6H2BrFN2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H
InChIKey
DLNYTDLCDYDPLV-UHFFFAOYSA-N
Compound name
1-bromo-5-fluoro-2,4-dinitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

263.9182 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.92548 147.6
[M+Na]+ 286.90742 158.8
[M-H]- 262.91092 153.2
[M+NH4]+ 281.95202 165.9
[M+K]+ 302.88136 141.0
[M+H-H2O]+ 246.91546 154.2
[M+HCOO]- 308.91640 170.6
[M+CH3COO]- 322.93205 183.0
[M+Na-2H]- 284.89287 156.4
[M]+ 263.91765 163.2
[M]- 263.91875 163.2
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