CID 118807844

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

Structural Information

Molecular Formula
C6H2BrFINO2
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])I)F)Br
InChI
InChI=1S/C6H2BrFINO2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H
InChIKey
AJBGBQMBUPYOLU-UHFFFAOYSA-N
Compound name
5-bromo-1-fluoro-2-iodo-3-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.82977 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.83705 152.0
[M+Na]+ 367.81899 157.9
[M-H]- 343.82249 151.2
[M+NH4]+ 362.86359 168.1
[M+K]+ 383.79293 149.3
[M+H-H2O]+ 327.82703 151.5
[M+HCOO]- 389.82797 169.6
[M+CH3COO]- 403.84362 191.3
[M+Na-2H]- 365.80444 148.1
[M]+ 344.82922 165.5
[M]- 344.83032 165.5
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

No patent data available for this compound.