CID 162421202

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.85526 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.862536 143.4
[M+Na]+ 352.844478 150.1
[M-H]- 328.847984 142.5
[M+NH4]+ 347.889083 161.0
[M+K]+ 368.818418 145.4
[M+H-H2O]+ 312.852520 139.6
[M+HCOO]- 374.853461 160.1
[M+CH3COO]- 388.869111 194.5
[M+Na-2H]- 350.829926 139.0
[M]+ 329.85471142 159.0
[M]- 329.85580858 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

No patent data available for this compound.