CID 97988310

1-fluoro-3-(iodoethynyl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.93417 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.94145 131.2
[M+Na]+ 268.92339 135.9
[M-H]- 244.92689 126.2
[M+NH4]+ 263.96799 146.1
[M+K]+ 284.89733 136.8
[M+H-H2O]+ 228.93143 116.6
[M+HCOO]- 290.93237 144.8
[M+CH3COO]- 304.94802 189.9
[M+Na-2H]- 266.90884 126.6
[M]+ 245.93362 122.3
[M]- 245.93472 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.