CID 70725

1-fluoro-3-iodobenzene

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2350
Patents

221.93417 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.94145 123.7
[M+Na]+ 244.92339 125.9
[M-H]- 220.92689 119.5
[M+NH4]+ 239.96799 141.5
[M+K]+ 260.89733 130.0
[M+H-H2O]+ 204.93143 114.4
[M+HCOO]- 266.93237 142.8
[M+CH3COO]- 280.94802 178.3
[M+Na-2H]- 242.90884 119.9
[M]+ 221.93362 119.4
[M]- 221.93472 119.4
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