CID 67673

1-fluoro-2-iodobenzene

Structural Information

Molecular Formula
C6H4FI
SMILES
C1=CC=C(C(=C1)F)I
InChI
InChI=1S/C6H4FI/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKey
TYHUGKGZNOULKD-UHFFFAOYSA-N
Compound name
1-fluoro-2-iodobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1733
Patents

221.93417 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.94145 126.6
[M+Na]+ 244.92339 132.6
[M+NH4]+ 239.96799 131.9
[M+K]+ 260.89733 128.9
[M-H]- 220.92689 122.4
[M+Na-2H]- 242.90884 122.4
[M]+ 221.93362 125.3
[M]- 221.93472 125.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe