CID 42552912

1-bromo-3-fluoro-2-methoxy-5-nitrobenzene

Structural Information

Molecular Formula
C7H5BrFNO3
SMILES
COC1=C(C=C(C=C1Br)[N+](=O)[O-])F
InChI
InChI=1S/C7H5BrFNO3/c1-13-7-5(8)2-4(10(11)12)3-6(7)9/h2-3H,1H3
InChIKey
FNJMNFQCIBHJBZ-UHFFFAOYSA-N
Compound name
1-bromo-3-fluoro-2-methoxy-5-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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 141.9
[M+Na]+ 271.93290 154.6
[M-H]- 247.93640 147.8
[M+NH4]+ 266.97750 162.5
[M+K]+ 287.90684 140.4
[M+H-H2O]+ 231.94094 145.3
[M+HCOO]- 293.94188 164.7
[M+CH3COO]- 307.95753 185.2
[M+Na-2H]- 269.91835 150.0
[M]+ 248.94313 160.5
[M]- 248.94423 160.5
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