CID 46211565

1-fluoro-2-(2-iodoethynyl)benzene

Structural Information

Molecular Formula
C8H4FI
SMILES
C1=CC=C(C(=C1)C#CI)F
InChI
InChI=1S/C8H4FI/c9-8-4-2-1-3-7(8)5-6-10/h1-4H
InChIKey
XJTSBOYVAFJJSV-UHFFFAOYSA-N
Compound name
1-fluoro-2-(2-iodoethynyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.93417 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.941446 131.2
[M+Na]+ 268.923388 135.9
[M-H]- 244.926894 126.2
[M+NH4]+ 263.967993 146.1
[M+K]+ 284.897328 136.8
[M+H-H2O]+ 228.931430 116.6
[M+HCOO]- 290.932371 144.8
[M+CH3COO]- 304.948021 189.9
[M+Na-2H]- 266.908836 126.6
[M]+ 245.93362142 122.3
[M]- 245.93471858 122.3
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

No patent data available for this compound.