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 143.4
[M+Na]+ 352.84448 150.1
[M-H]- 328.84798 142.5
[M+NH4]+ 347.88908 161.0
[M+K]+ 368.81842 145.4
[M+H-H2O]+ 312.85252 139.6
[M+HCOO]- 374.85346 160.1
[M+CH3COO]- 388.86911 194.5
[M+Na-2H]- 350.82993 139.0
[M]+ 329.85471 159.0
[M]- 329.85581 159.0
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