CID 171001836

1-chloro-5-fluoro-2-iodo-4-methoxybenzene

Structural Information

Molecular Formula
C7H5ClFIO
SMILES
COC1=CC(=C(C=C1F)Cl)I
InChI
InChI=1S/C7H5ClFIO/c1-11-7-3-6(10)4(8)2-5(7)9/h2-3H,1H3
InChIKey
DBDCHMVFBYDWJH-UHFFFAOYSA-N
Compound name
1-chloro-5-fluoro-2-iodo-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.90576 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.91304 138.0
[M+Na]+ 308.89498 144.7
[M+NH4]+ 303.93958 142.7
[M+K]+ 324.86892 140.9
[M-H]- 284.89848 133.3
[M+Na-2H]- 306.88043 132.8
[M]+ 285.90521 136.9
[M]- 285.90631 136.9
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.