CID 53403268

1-bromo-2-fluoro-4-methoxy-5-nitrobenzene

Structural Information

Molecular Formula
C7H5BrFNO3
SMILES
COC1=CC(=C(C=C1[N+](=O)[O-])Br)F
InChI
InChI=1S/C7H5BrFNO3/c1-13-7-3-5(9)4(8)2-6(7)10(11)12/h2-3H,1H3
InChIKey
DHSGXAGGBXJPEL-UHFFFAOYSA-N
Compound name
1-bromo-2-fluoro-4-methoxy-5-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

280
Patents

248.94368 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.95096 144.8
[M+Na]+ 271.93290 148.6
[M+NH4]+ 266.97750 148.9
[M+K]+ 287.90684 151.0
[M-H]- 247.93640 145.1
[M+Na-2H]- 269.91835 147.3
[M]+ 248.94313 144.1
[M]- 248.94423 144.1
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