CID 122237324

3-bromo-5-fluoro-2-iodoanisole

Structural Information

Molecular Formula
C7H5BrFIO
SMILES
COC1=C(C(=CC(=C1)F)Br)I
InChI
InChI=1S/C7H5BrFIO/c1-11-6-3-4(9)2-5(8)7(6)10/h2-3H,1H3
InChIKey
AUYGCNDZRSODDO-UHFFFAOYSA-N
Compound name
1-bromo-5-fluoro-2-iodo-3-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

329.85526 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.86254 147.6
[M+Na]+ 352.84448 145.6
[M+NH4]+ 347.88908 149.0
[M+K]+ 368.81842 147.4
[M-H]- 328.84798 142.3
[M+Na-2H]- 350.82993 140.3
[M]+ 329.85471 143.8
[M]- 329.85581 143.8
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